3-butyl-7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;bis(3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone);3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone

C220H309Cl3N32O37 — CID 162013403

IUPAC3-butyl-7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;bis(3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone);3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
SMILESCCCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccc(Cl)cc4)CC3)C(=O)C(C1=O)C2(C)C.CCCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4Cl)CC3)C(=O)C(C1=O)C2(C)C.CCCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4OC)CC3)C(=O)C(C1=O)C2(C)C.CCCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4OCC)CC3)C(=O)C(C1=O)C2(C)C.CCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccc(Cl)cc4)CC3)C(=O)C(C1=O)C2(C)C.CCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4OC)CC3)C(=O)C(C1=O)C2(C)C.CCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4OCC)CC3)C(=O)C(C1=O)C2(C)C.CCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4OCC)CC3)C(=O)C(C1=O)C2(C)C
InChIInChI=1S/C29H42N4O5.3C28H40N4O5.2C27H37ClN4O4.C27H38N4O5.C26H35ClN4O4/c1-5-7-15-32-25(34)23-27(36)33(28(37)24(26(32)35)29(23,3)4)16-11-10-14-30-17-19-31(20-18-30)21-12-8-9-13-22(21)38-6-2;1-5-6-14-31-24(33)22-26(35)32(27(36)23(25(31)34)28(22,2)3)15-10-9-13-29-16-18-30(19-17-29)20-11-7-8-12-21(20)37-4;2*1-5-13-31-24(33)22-26(35)32(27(36)23(25(31)34)28(22,3)4)15-10-9-14-29-16-18-30(19-17-29)20-11-7-8-12-21(20)37-6-2;1-4-5-13-31-23(33)21-25(35)32(26(36)22(24(31)34)27(21,2)3)14-7-6-12-29-15-17-30(18-16-29)20-10-8-19(28)9-11-20;1-4-5-13-31-23(33)21-25(35)32(26(36)22(24(31)34)27(21,2)3)14-9-8-12-29-15-17-30(18-16-29)20-11-7-6-10-19(20)28;1-5-12-30-23(32)21-25(34)31(26(35)22(24(30)33)27(21,2)3)14-9-8-13-28-15-17-29(18-16-28)19-10-6-7-11-20(19)36-4;1-4-11-30-22(32)20-24(34)31(25(35)21(23(30)33)26(20,2)3)13-6-5-12-28-14-16-29(17-15-28)19-9-7-18(27)8-10-19/h8-9,12-13,23-24H,5-7,10-11,14-20H2,1-4H3;3*7-8,11-12,22-23H,5-6,9-10,13-19H2,1-4H3;8-11,21-22H,4-7,12-18H2,1-3H3;6-7,10-11,21-22H,4-5,8-9,12-18H2,1-3H3;6-7,10-11,21-22H,5,8-9,12-18H2,1-4H3;7-10,20-21H,4-6,11-17H2,1-3H3
InChIKeyYTTXFZNLGQKEIU-UHFFFAOYSA-N
MW4100.44 g/mol
LogP20.69
Rot. Bonds76

About 3-butyl-7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;bis(3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone);3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone

3-butyl-7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;bis(3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone);3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone (PubChem CID 162013403) has the molecular formula C220H309Cl3N32O37 and a molecular weight of 4100.44 g/mol. Its IUPAC name is 3-butyl-7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;bis(3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone);3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone.

Molecular Properties

Compound Name3-butyl-7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;bis(3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone);3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
PubChem CID162013403
Molecular FormulaC220H309Cl3N32O37
Molecular Weight4100.44 g/mol
Exact Mass4096.23
IUPAC Name3-butyl-7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;bis(3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone);3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
SMILESCCCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccc(Cl)cc4)CC3)C(=O)C(C1=O)C2(C)C.CCCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4Cl)CC3)C(=O)C(C1=O)C2(C)C.CCCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4OC)CC3)C(=O)C(C1=O)C2(C)C.CCCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4OCC)CC3)C(=O)C(C1=O)C2(C)C.CCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccc(Cl)cc4)CC3)C(=O)C(C1=O)C2(C)C.CCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4OC)CC3)C(=O)C(C1=O)C2(C)C.CCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4OCC)CC3)C(=O)C(C1=O)C2(C)C.CCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4OCC)CC3)C(=O)C(C1=O)C2(C)C
InChIInChI=1S/C29H42N4O5.3C28H40N4O5.2C27H37ClN4O4.C27H38N4O5.C26H35ClN4O4/c1-5-7-15-32-25(34)23-27(36)33(28(37)24(26(32)35)29(23,3)4)16-11-10-14-30-17-19-31(20-18-30)21-12-8-9-13-22(21)38-6-2;1-5-6-14-31-24(33)22-26(35)32(27(36)23(25(31)34)28(22,2)3)15-10-9-13-29-16-18-30(19-17-29)20-11-7-8-12-21(20)37-4;2*1-5-13-31-24(33)22-26(35)32(27(36)23(25(31)34)28(22,3)4)15-10-9-14-29-16-18-30(19-17-29)20-11-7-8-12-21(20)37-6-2;1-4-5-13-31-23(33)21-25(35)32(26(36)22(24(31)34)27(21,2)3)14-7-6-12-29-15-17-30(18-16-29)20-10-8-19(28)9-11-20;1-4-5-13-31-23(33)21-25(35)32(26(36)22(24(31)34)27(21,2)3)14-9-8-12-29-15-17-30(18-16-29)20-11-7-6-10-19(20)28;1-5-12-30-23(32)21-25(34)31(26(35)22(24(30)33)27(21,2)3)14-9-8-13-28-15-17-29(18-16-28)19-10-6-7-11-20(19)36-4;1-4-11-30-22(32)20-24(34)31(25(35)21(23(30)33)26(20,2)3)13-6-5-12-28-14-16-29(17-15-28)19-9-7-18(27)8-10-19/h8-9,12-13,23-24H,5-7,10-11,14-20H2,1-4H3;3*7-8,11-12,22-23H,5-6,9-10,13-19H2,1-4H3;8-11,21-22H,4-7,12-18H2,1-3H3;6-7,10-11,21-22H,4-5,8-9,12-18H2,1-3H3;6-7,10-11,21-22H,5,8-9,12-18H2,1-4H3;7-10,20-21H,4-6,11-17H2,1-3H3
InChIKeyYTTXFZNLGQKEIU-UHFFFAOYSA-N
XLogP20.69
TPSA696.07 Ų
H-Bond Donors
H-Bond Acceptors53
Rotatable Bonds76
Heavy Atoms292
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004100.44
LogP ≤ 520.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1053

Analyze 3-butyl-7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;bis(3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone);3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
CID 59144729
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 33055181
5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
CID 10597866
(1R,2R,6R,7S)-1-ethoxy-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-azatricyclo[5.2.2.02,6]undecane-3,5,8-trione
CID 11123714
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
(5E)-3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 118050342
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane
CID 142573439
N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268780
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217

Frequently Asked Questions

What is the IUPAC name of 3-butyl-7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;bis(3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone);3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone?
The IUPAC name of 3-butyl-7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;bis(3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone);3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone (CID 162013403) is 3-butyl-7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;bis(3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone);3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone.
What is the SMILES notation for 3-butyl-7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;bis(3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone);3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone?
The canonical SMILES for 3-butyl-7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;bis(3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone);3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone is CCCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccc(Cl)cc4)CC3)C(=O)C(C1=O)C2(C)C.CCCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4Cl)CC3)C(=O)C(C1=O)C2(C)C.CCCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4OC)CC3)C(=O)C(C1=O)C2(C)C.CCCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4OCC)CC3)C(=O)C(C1=O)C2(C)C.CCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccc(Cl)cc4)CC3)C(=O)C(C1=O)C2(C)C.CCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4OC)CC3)C(=O)C(C1=O)C2(C)C.CCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4OCC)CC3)C(=O)C(C1=O)C2(C)C.CCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4OCC)CC3)C(=O)C(C1=O)C2(C)C.
What is the InChIKey of 3-butyl-7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;bis(3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone);3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone?
The InChIKey is YTTXFZNLGQKEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N4O5.3C28H40N4O5.2C27H37ClN4O4.C27H38N4O5.C26H35ClN4O4/c1-5-7-15-32-25(34)23-27(36)33(28(37)24(26(32)35)29(23,3)4)16-11-10-14-30-17-19-31(20-18-30)21-12-8-9-13-22(21)38-6-2;1-5-6-14-31-24(33)22-26(35)32(27(36)23(25(31)34)28(22,2)3)15-10-9-13-29-16-18-30(19-17-29)20-11-7-8-12-21(20)37-4;2*1-5-13-31-24(33)22-26(35)32(27(36)23(25(31)34)28(22,3)4)15-10-9-14-29-16-18-30(19-17-29)20-11-7-8-12-21(20)37-6-2;1-4-5-13-31-23(33)21-25(35)32(26(36)22(24(31)34)27(21,2)3)14-7-6-12-29-15-17-30(18-16-29)20-10-8-19(28)9-11-20;1-4-5-13-31-23(33)21-25(35)32(26(36)22(24(31)34)27(21,2)3)14-9-8-12-29-15-17-30(18-16-29)20-11-7-6-10-19(20)28;1-5-12-30-23(32)21-25(34)31(26(35)22(24(30)33)27(21,2)3)14-9-8-13-28-15-17-29(18-16-28)19-10-6-7-11-20(19)36-4;1-4-11-30-22(32)20-24(34)31(25(35)21(23(30)33)26(20,2)3)13-6-5-12-28-14-16-29(17-15-28)19-9-7-18(27)8-10-19/h8-9,12-13,23-24H,5-7,10-11,14-20H2,1-4H3;3*7-8,11-12,22-23H,5-6,9-10,13-19H2,1-4H3;8-11,21-22H,4-7,12-18H2,1-3H3;6-7,10-11,21-22H,4-5,8-9,12-18H2,1-3H3;6-7,10-11,21-22H,5,8-9,12-18H2,1-4H3;7-10,20-21H,4-6,11-17H2,1-3H3.
What are the key properties of 3-butyl-7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;bis(3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone);3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone?
3-butyl-7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;bis(3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone);3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone has a molecular weight of 4100.44 g/mol, XLogP of 20.69, 76 rotatable bonds, 0 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;bis(3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone);3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone is sourced from PubChem (CID 162013403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).