3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2R)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2S)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;propan-2-yl 4-[4-[(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate;sulfane;octakis(tritium monohydride)

C233H346N36O51S8 — CID 159022271

IUPAC3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2R)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2S)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;propan-2-yl 4-[4-[(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate;sulfane;octakis(tritium monohydride)
SMILESCOCC(=O)N1CCN(C(=O)C2CCC(Cn3c(=O)[nH]c4ccc(OC)cc4c3=O)CC2)[C@@H](C)C1.COCC(=O)N1CCN(C(=O)C2CCC(Cn3c(=O)[nH]c4ccc(OC)cc4c3=O)CC2)[C@H](C)C1.COCCC(=O)N1CCN(C(=O)C2CCC(Cn3c(=O)c4cc(OC)ccc4n(C)c3=O)CC2)CC1.COc1ccc2[nH]c(=O)n(CC3CCC(C(=O)N4CCN(C(=O)C5CC5)C[C@H]4C)CC3)c(=O)c2c1.COc1ccc2c(c1)c(=O)n(CC1CCC(C(=O)N3CCN(C(=O)C4CCC4)CC3)CC1)c(=O)n2C.COc1ccc2c(c1)c(=O)n(CC1CCC(C(=O)N3CCN(C(=O)OC(C)C)CC3)CC1)c(=O)n2C.COc1ccc2c(c1)c(=O)n(CC1CCC(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)CC1)c(=O)n2C.COc1ccc2c(c1)c(=O)n(CC1CCC(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)CC1)c(=O)n2C.COc1ccc2c(c1)c(=O)n(CC1CCC(C(=O)N3CCN(C(C)=O)CC3)CC1)c(=O)n2C.S.S.S.S.S.S.S.S.[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H]
InChIInChI=1S/2C27H36N4O6.C27H36N4O5.2C26H36N4O6.C26H34N4O5.2C25H34N4O6.C24H32N4O5.8H2S.8H2/c2*1-28-22-10-9-20(36-2)16-21(22)25(33)31(27(28)35)17-18-5-7-19(8-6-18)24(32)29-11-13-30(14-12-29)26(34)23-4-3-15-37-23;1-28-23-11-10-21(36-2)16-22(23)26(34)31(27(28)35)17-18-6-8-20(9-7-18)25(33)30-14-12-29(13-15-30)24(32)19-4-3-5-19;1-17(2)36-26(34)29-13-11-28(12-14-29)23(31)19-7-5-18(6-8-19)16-30-24(32)21-15-20(35-4)9-10-22(21)27(3)25(30)33;1-27-22-9-8-20(36-3)16-21(22)25(33)30(26(27)34)17-18-4-6-19(7-5-18)24(32)29-13-11-28(12-14-29)23(31)10-15-35-2;1-16-14-28(23(31)18-7-8-18)11-12-29(16)24(32)19-5-3-17(4-6-19)15-30-25(33)21-13-20(35-2)9-10-22(21)27-26(30)34;2*1-16-13-27(22(30)15-34-2)10-11-28(16)23(31)18-6-4-17(5-7-18)14-29-24(32)20-12-19(35-3)8-9-21(20)26-25(29)33;1-16(29)26-10-12-27(13-11-26)22(30)18-6-4-17(5-7-18)15-28-23(31)20-14-19(33-3)8-9-21(20)25(2)24(28)32;;;;;;;;;;;;;;;;/h2*9-10,16,18-19,23H,3-8,11-15,17H2,1-2H3;10-11,16,18-20H,3-9,12-15,17H2,1-2H3;9-10,15,17-19H,5-8,11-14,16H2,1-4H3;8-9,16,18-19H,4-7,10-15,17H2,1-3H3;9-10,13,16-19H,3-8,11-12,14-15H2,1-2H3,(H,27,34);2*8-9,12,16-18H,4-7,10-11,13-15H2,1-3H3,(H,26,33);8-9,14,17-18H,4-7,10-13,15H2,1-3H3;8*1H2;8*1H/t2*18?,19?,23-;;;;16-,17?,19?;2*16-,17?,18?;;;;;;;;;;;;;;;;;/m10...110................./s1/i;;;;;;;;;;;;;;;;;8*1+2
InChIKeyJTVQTRMFRPBFJL-VZJCTJHRSA-N
MW4740.13 g/mol
LogP16.61
Rot. Bonds48

About 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2R)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2S)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;propan-2-yl 4-[4-[(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate;sulfane;octakis(tritium monohydride)

3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2R)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2S)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;propan-2-yl 4-[4-[(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate;sulfane;octakis(tritium monohydride) (PubChem CID 159022271) has the molecular formula C233H346N36O51S8 and a molecular weight of 4740.13 g/mol. Its IUPAC name is 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2R)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2S)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;propan-2-yl 4-[4-[(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate;sulfane;octakis(tritium monohydride).

Molecular Properties

Compound Name3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2R)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2S)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;propan-2-yl 4-[4-[(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate;sulfane;octakis(tritium monohydride)
PubChem CID159022271
Molecular FormulaC233H346N36O51S8
Molecular Weight4740.13 g/mol
Exact Mass4736.40
IUPAC Name3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2R)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2S)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;propan-2-yl 4-[4-[(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate;sulfane;octakis(tritium monohydride)
SMILESCOCC(=O)N1CCN(C(=O)C2CCC(Cn3c(=O)[nH]c4ccc(OC)cc4c3=O)CC2)[C@@H](C)C1.COCC(=O)N1CCN(C(=O)C2CCC(Cn3c(=O)[nH]c4ccc(OC)cc4c3=O)CC2)[C@H](C)C1.COCCC(=O)N1CCN(C(=O)C2CCC(Cn3c(=O)c4cc(OC)ccc4n(C)c3=O)CC2)CC1.COc1ccc2[nH]c(=O)n(CC3CCC(C(=O)N4CCN(C(=O)C5CC5)C[C@H]4C)CC3)c(=O)c2c1.COc1ccc2c(c1)c(=O)n(CC1CCC(C(=O)N3CCN(C(=O)C4CCC4)CC3)CC1)c(=O)n2C.COc1ccc2c(c1)c(=O)n(CC1CCC(C(=O)N3CCN(C(=O)OC(C)C)CC3)CC1)c(=O)n2C.COc1ccc2c(c1)c(=O)n(CC1CCC(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)CC1)c(=O)n2C.COc1ccc2c(c1)c(=O)n(CC1CCC(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)CC1)c(=O)n2C.COc1ccc2c(c1)c(=O)n(CC1CCC(C(=O)N3CCN(C(C)=O)CC3)CC1)c(=O)n2C.S.S.S.S.S.S.S.S.[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H]
InChIInChI=1S/2C27H36N4O6.C27H36N4O5.2C26H36N4O6.C26H34N4O5.2C25H34N4O6.C24H32N4O5.8H2S.8H2/c2*1-28-22-10-9-20(36-2)16-21(22)25(33)31(27(28)35)17-18-5-7-19(8-6-18)24(32)29-11-13-30(14-12-29)26(34)23-4-3-15-37-23;1-28-23-11-10-21(36-2)16-22(23)26(34)31(27(28)35)17-18-6-8-20(9-7-18)25(33)30-14-12-29(13-15-30)24(32)19-4-3-5-19;1-17(2)36-26(34)29-13-11-28(12-14-29)23(31)19-7-5-18(6-8-19)16-30-24(32)21-15-20(35-4)9-10-22(21)27(3)25(30)33;1-27-22-9-8-20(36-3)16-21(22)25(33)30(26(27)34)17-18-4-6-19(7-5-18)24(32)29-13-11-28(12-14-29)23(31)10-15-35-2;1-16-14-28(23(31)18-7-8-18)11-12-29(16)24(32)19-5-3-17(4-6-19)15-30-25(33)21-13-20(35-2)9-10-22(21)27-26(30)34;2*1-16-13-27(22(30)15-34-2)10-11-28(16)23(31)18-6-4-17(5-7-18)14-29-24(32)20-12-19(35-3)8-9-21(20)26-25(29)33;1-16(29)26-10-12-27(13-11-26)22(30)18-6-4-17(5-7-18)15-28-23(31)20-14-19(33-3)8-9-21(20)25(2)24(28)32;;;;;;;;;;;;;;;;/h2*9-10,16,18-19,23H,3-8,11-15,17H2,1-2H3;10-11,16,18-20H,3-9,12-15,17H2,1-2H3;9-10,15,17-19H,5-8,11-14,16H2,1-4H3;8-9,16,18-19H,4-7,10-15,17H2,1-3H3;9-10,13,16-19H,3-8,11-12,14-15H2,1-2H3,(H,27,34);2*8-9,12,16-18H,4-7,10-11,13-15H2,1-3H3,(H,26,33);8-9,14,17-18H,4-7,10-13,15H2,1-3H3;8*1H2;8*1H/t2*18?,19?,23-;;;;16-,17?,19?;2*16-,17?,18?;;;;;;;;;;;;;;;;;/m10...110................./s1/i;;;;;;;;;;;;;;;;;8*1+2
InChIKeyJTVQTRMFRPBFJL-VZJCTJHRSA-N
XLogP16.61
TPSA932.61 Ų
H-Bond Donors3
H-Bond Acceptors66
Rotatable Bonds48
Heavy Atoms328
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004740.13
LogP ≤ 516.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1066

Analyze 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2R)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2S)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;propan-2-yl 4-[4-[(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate;sulfane;octakis(tritium monohydride) with MolForge

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Related Compounds

3-[[4-[(3S)-4-(cyclopropanecarbonyl)-3-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione
CID 51352947
3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethoxy)-1-methylbenzimidazol-2-one
CID 66556471
5-methoxy-1-methyl-3-[[4-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one
CID 123734059
2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
CID 94150662
3-[[4-[4-(cyclopropanecarbonyl)-3-methylpiperazine-1-carbonyl]cyclohexyl]-fluoromethyl]-6-hydroxy-1H-quinazoline-2,4-dione
CID 123848451
2-(4-ethoxyphenoxy)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 108536689
N-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide
CID 123890001
6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione
CID 117262520
6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione
CID 117262554
3-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10200588
6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262552
cyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
CID 110197664

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2R)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2S)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;propan-2-yl 4-[4-[(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate;sulfane;octakis(tritium monohydride)?
The IUPAC name of 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2R)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2S)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;propan-2-yl 4-[4-[(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate;sulfane;octakis(tritium monohydride) (CID 159022271) is 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2R)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2S)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;propan-2-yl 4-[4-[(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate;sulfane;octakis(tritium monohydride).
What is the SMILES notation for 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2R)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2S)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;propan-2-yl 4-[4-[(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate;sulfane;octakis(tritium monohydride)?
The canonical SMILES for 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2R)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2S)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;propan-2-yl 4-[4-[(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate;sulfane;octakis(tritium monohydride) is COCC(=O)N1CCN(C(=O)C2CCC(Cn3c(=O)[nH]c4ccc(OC)cc4c3=O)CC2)[C@@H](C)C1.COCC(=O)N1CCN(C(=O)C2CCC(Cn3c(=O)[nH]c4ccc(OC)cc4c3=O)CC2)[C@H](C)C1.COCCC(=O)N1CCN(C(=O)C2CCC(Cn3c(=O)c4cc(OC)ccc4n(C)c3=O)CC2)CC1.COc1ccc2[nH]c(=O)n(CC3CCC(C(=O)N4CCN(C(=O)C5CC5)C[C@H]4C)CC3)c(=O)c2c1.COc1ccc2c(c1)c(=O)n(CC1CCC(C(=O)N3CCN(C(=O)C4CCC4)CC3)CC1)c(=O)n2C.COc1ccc2c(c1)c(=O)n(CC1CCC(C(=O)N3CCN(C(=O)OC(C)C)CC3)CC1)c(=O)n2C.COc1ccc2c(c1)c(=O)n(CC1CCC(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)CC1)c(=O)n2C.COc1ccc2c(c1)c(=O)n(CC1CCC(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)CC1)c(=O)n2C.COc1ccc2c(c1)c(=O)n(CC1CCC(C(=O)N3CCN(C(C)=O)CC3)CC1)c(=O)n2C.S.S.S.S.S.S.S.S.[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].
What is the InChIKey of 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2R)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2S)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;propan-2-yl 4-[4-[(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate;sulfane;octakis(tritium monohydride)?
The InChIKey is JTVQTRMFRPBFJL-VZJCTJHRSA-N. The full InChI is InChI=1S/2C27H36N4O6.C27H36N4O5.2C26H36N4O6.C26H34N4O5.2C25H34N4O6.C24H32N4O5.8H2S.8H2/c2*1-28-22-10-9-20(36-2)16-21(22)25(33)31(27(28)35)17-18-5-7-19(8-6-18)24(32)29-11-13-30(14-12-29)26(34)23-4-3-15-37-23;1-28-23-11-10-21(36-2)16-22(23)26(34)31(27(28)35)17-18-6-8-20(9-7-18)25(33)30-14-12-29(13-15-30)24(32)19-4-3-5-19;1-17(2)36-26(34)29-13-11-28(12-14-29)23(31)19-7-5-18(6-8-19)16-30-24(32)21-15-20(35-4)9-10-22(21)27(3)25(30)33;1-27-22-9-8-20(36-3)16-21(22)25(33)30(26(27)34)17-18-4-6-19(7-5-18)24(32)29-13-11-28(12-14-29)23(31)10-15-35-2;1-16-14-28(23(31)18-7-8-18)11-12-29(16)24(32)19-5-3-17(4-6-19)15-30-25(33)21-13-20(35-2)9-10-22(21)27-26(30)34;2*1-16-13-27(22(30)15-34-2)10-11-28(16)23(31)18-6-4-17(5-7-18)14-29-24(32)20-12-19(35-3)8-9-21(20)26-25(29)33;1-16(29)26-10-12-27(13-11-26)22(30)18-6-4-17(5-7-18)15-28-23(31)20-14-19(33-3)8-9-21(20)25(2)24(28)32;;;;;;;;;;;;;;;;/h2*9-10,16,18-19,23H,3-8,11-15,17H2,1-2H3;10-11,16,18-20H,3-9,12-15,17H2,1-2H3;9-10,15,17-19H,5-8,11-14,16H2,1-4H3;8-9,16,18-19H,4-7,10-15,17H2,1-3H3;9-10,13,16-19H,3-8,11-12,14-15H2,1-2H3,(H,27,34);2*8-9,12,16-18H,4-7,10-11,13-15H2,1-3H3,(H,26,33);8-9,14,17-18H,4-7,10-13,15H2,1-3H3;8*1H2;8*1H/t2*18?,19?,23-;;;;16-,17?,19?;2*16-,17?,18?;;;;;;;;;;;;;;;;;/m10...110................./s1/i;;;;;;;;;;;;;;;;;8*1+2.
What are the key properties of 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2R)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2S)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;propan-2-yl 4-[4-[(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate;sulfane;octakis(tritium monohydride)?
3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2R)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2S)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;propan-2-yl 4-[4-[(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate;sulfane;octakis(tritium monohydride) has a molecular weight of 4740.13 g/mol, XLogP of 16.61, 48 rotatable bonds, 3 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione;3-[[4-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2R)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[(2S)-4-(2-methoxyacetyl)-2-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione;6-methoxy-3-[[4-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;6-methoxy-1-methyl-3-[[4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]quinazoline-2,4-dione;propan-2-yl 4-[4-[(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate;sulfane;octakis(tritium monohydride) is sourced from PubChem (CID 159022271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).