8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-[3-(4-methoxy-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-4-pyrimidin-4-ylbutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C217H311N29O30S — CID 158977287

IUPAC8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-[3-(4-methoxy-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-4-pyrimidin-4-ylbutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCCN1C(=O)N(CC(=O)N2CCS(=O)(=O)CC2)CC12CCC(c1ccccc1)(N(C)C)CC2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CC1COC1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ccccn1)C(=O)N2CC1(O)CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)CC1COC1)C(=O)N2CC1(O)CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCOC)C(=O)N2CC1(O)CCC1.COCCCC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2(O)CCC2)C1=O.COCCCN1C(=O)N(CC(=O)CCc2ccncn2)CC12CCC(c1ccccc1)(N(C)C)CC2.COCCCN1C(=O)N(CC(=O)Cc2cc(OC)ccn2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C29H40N4O4.C29H38N4O3.C28H39N5O3.C27H39N3O4.C27H41N3O4.C26H37N3O4.C26H39N3O4.C25H38N4O4S/c1-31(2)29(23-9-6-5-7-10-23)14-12-28(13-15-29)22-32(27(35)33(28)17-8-18-36-3)21-25(34)19-24-20-26(37-4)11-16-30-24;1-31(2)29(23-9-4-3-5-10-23)16-14-27(15-17-29)21-32(20-25(34)19-24-11-6-7-18-30-24)26(35)33(27)22-28(36)12-8-13-28;1-31(2)28(23-8-5-4-6-9-23)15-13-27(14-16-28)21-32(26(35)33(27)18-7-19-36-3)20-25(34)11-10-24-12-17-29-22-30-24;1-28(2)27(22-7-4-3-5-8-22)13-11-25(12-14-27)19-29(16-23(31)15-21-17-34-18-21)24(32)30(25)20-26(33)9-6-10-26;1-28(2)27(22-9-5-4-6-10-22)16-14-25(15-17-27)20-29(19-23(31)11-7-18-34-3)24(32)30(25)21-26(33)12-8-13-26;1-27-26(21-6-3-2-4-7-21)12-10-24(11-13-26)18-28(15-22(30)14-20-16-33-17-20)23(31)29(24)19-25(32)8-5-9-25;1-27-26(21-8-4-3-5-9-21)15-13-24(14-16-26)19-28(18-22(30)10-6-17-33-2)23(31)29(24)20-25(32)11-7-12-25;1-4-14-29-23(31)28(19-22(30)27-15-17-34(32,33)18-16-27)20-24(29)10-12-25(13-11-24,26(2)3)21-8-6-5-7-9-21/h5-7,9-11,16,20H,8,12-15,17-19,21-22H2,1-4H3;3-7,9-11,18,36H,8,12-17,19-22H2,1-2H3;4-6,8-9,12,17,22H,7,10-11,13-16,18-21H2,1-3H3;3-5,7-8,21,33H,6,9-20H2,1-2H3;4-6,9-10,33H,7-8,11-21H2,1-3H3;2-4,6-7,20,27,32H,5,8-19H2,1H3;3-5,8-9,27,32H,6-7,10-20H2,1-2H3;5-9H,4,10-20H2,1-3H3
InChIKeyJONZMVNGJZYQTG-UHFFFAOYSA-N
MW3838.11 g/mol
LogP25.20
Rot. Bonds72

About 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-[3-(4-methoxy-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-4-pyrimidin-4-ylbutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-[3-(4-methoxy-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-4-pyrimidin-4-ylbutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 158977287) has the molecular formula C217H311N29O30S and a molecular weight of 3838.11 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-[3-(4-methoxy-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-4-pyrimidin-4-ylbutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-[3-(4-methoxy-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-4-pyrimidin-4-ylbutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID158977287
Molecular FormulaC217H311N29O30S
Molecular Weight3838.11 g/mol
Exact Mass3835.34
IUPAC Name8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-[3-(4-methoxy-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-4-pyrimidin-4-ylbutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCCN1C(=O)N(CC(=O)N2CCS(=O)(=O)CC2)CC12CCC(c1ccccc1)(N(C)C)CC2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CC1COC1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ccccn1)C(=O)N2CC1(O)CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)CC1COC1)C(=O)N2CC1(O)CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCOC)C(=O)N2CC1(O)CCC1.COCCCC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2(O)CCC2)C1=O.COCCCN1C(=O)N(CC(=O)CCc2ccncn2)CC12CCC(c1ccccc1)(N(C)C)CC2.COCCCN1C(=O)N(CC(=O)Cc2cc(OC)ccn2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C29H40N4O4.C29H38N4O3.C28H39N5O3.C27H39N3O4.C27H41N3O4.C26H37N3O4.C26H39N3O4.C25H38N4O4S/c1-31(2)29(23-9-6-5-7-10-23)14-12-28(13-15-29)22-32(27(35)33(28)17-8-18-36-3)21-25(34)19-24-20-26(37-4)11-16-30-24;1-31(2)29(23-9-4-3-5-10-23)16-14-27(15-17-29)21-32(20-25(34)19-24-11-6-7-18-30-24)26(35)33(27)22-28(36)12-8-13-28;1-31(2)28(23-8-5-4-6-9-23)15-13-27(14-16-28)21-32(26(35)33(27)18-7-19-36-3)20-25(34)11-10-24-12-17-29-22-30-24;1-28(2)27(22-7-4-3-5-8-22)13-11-25(12-14-27)19-29(16-23(31)15-21-17-34-18-21)24(32)30(25)20-26(33)9-6-10-26;1-28(2)27(22-9-5-4-6-10-22)16-14-25(15-17-27)20-29(19-23(31)11-7-18-34-3)24(32)30(25)21-26(33)12-8-13-26;1-27-26(21-6-3-2-4-7-21)12-10-24(11-13-26)18-28(15-22(30)14-20-16-33-17-20)23(31)29(24)19-25(32)8-5-9-25;1-27-26(21-8-4-3-5-9-21)15-13-24(14-16-26)19-28(18-22(30)10-6-17-33-2)23(31)29(24)20-25(32)11-7-12-25;1-4-14-29-23(31)28(19-22(30)27-15-17-34(32,33)18-16-27)20-24(29)10-12-25(13-11-24,26(2)3)21-8-6-5-7-9-21/h5-7,9-11,16,20H,8,12-15,17-19,21-22H2,1-4H3;3-7,9-11,18,36H,8,12-17,19-22H2,1-2H3;4-6,8-9,12,17,22H,7,10-11,13-16,18-21H2,1-3H3;3-5,7-8,21,33H,6,9-20H2,1-2H3;4-6,9-10,33H,7-8,11-21H2,1-3H3;2-4,6-7,20,27,32H,5,8-19H2,1H3;3-5,8-9,27,32H,6-7,10-20H2,1-2H3;5-9H,4,10-20H2,1-3H3
InChIKeyJONZMVNGJZYQTG-UHFFFAOYSA-N
XLogP25.20
TPSA623.16 Ų
H-Bond Donors7
H-Bond Acceptors42
Rotatable Bonds72
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003838.11
LogP ≤ 525.20
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-[3-(4-methoxy-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-4-pyrimidin-4-ylbutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-[3-(4-methoxy-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-4-pyrimidin-4-ylbutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-[3-(4-methoxy-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-4-pyrimidin-4-ylbutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 158977287) is 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-[3-(4-methoxy-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-4-pyrimidin-4-ylbutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-[3-(4-methoxy-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-4-pyrimidin-4-ylbutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-[3-(4-methoxy-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-4-pyrimidin-4-ylbutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CCCN1C(=O)N(CC(=O)N2CCS(=O)(=O)CC2)CC12CCC(c1ccccc1)(N(C)C)CC2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CC1COC1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ccccn1)C(=O)N2CC1(O)CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)CC1COC1)C(=O)N2CC1(O)CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCOC)C(=O)N2CC1(O)CCC1.COCCCC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2(O)CCC2)C1=O.COCCCN1C(=O)N(CC(=O)CCc2ccncn2)CC12CCC(c1ccccc1)(N(C)C)CC2.COCCCN1C(=O)N(CC(=O)Cc2cc(OC)ccn2)CC12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-[3-(4-methoxy-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-4-pyrimidin-4-ylbutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is JONZMVNGJZYQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O4.C29H38N4O3.C28H39N5O3.C27H39N3O4.C27H41N3O4.C26H37N3O4.C26H39N3O4.C25H38N4O4S/c1-31(2)29(23-9-6-5-7-10-23)14-12-28(13-15-29)22-32(27(35)33(28)17-8-18-36-3)21-25(34)19-24-20-26(37-4)11-16-30-24;1-31(2)29(23-9-4-3-5-10-23)16-14-27(15-17-29)21-32(20-25(34)19-24-11-6-7-18-30-24)26(35)33(27)22-28(36)12-8-13-28;1-31(2)28(23-8-5-4-6-9-23)15-13-27(14-16-28)21-32(26(35)33(27)18-7-19-36-3)20-25(34)11-10-24-12-17-29-22-30-24;1-28(2)27(22-7-4-3-5-8-22)13-11-25(12-14-27)19-29(16-23(31)15-21-17-34-18-21)24(32)30(25)20-26(33)9-6-10-26;1-28(2)27(22-9-5-4-6-10-22)16-14-25(15-17-27)20-29(19-23(31)11-7-18-34-3)24(32)30(25)21-26(33)12-8-13-26;1-27-26(21-6-3-2-4-7-21)12-10-24(11-13-26)18-28(15-22(30)14-20-16-33-17-20)23(31)29(24)19-25(32)8-5-9-25;1-27-26(21-8-4-3-5-9-21)15-13-24(14-16-26)19-28(18-22(30)10-6-17-33-2)23(31)29(24)20-25(32)11-7-12-25;1-4-14-29-23(31)28(19-22(30)27-15-17-34(32,33)18-16-27)20-24(29)10-12-25(13-11-24,26(2)3)21-8-6-5-7-9-21/h5-7,9-11,16,20H,8,12-15,17-19,21-22H2,1-4H3;3-7,9-11,18,36H,8,12-17,19-22H2,1-2H3;4-6,8-9,12,17,22H,7,10-11,13-16,18-21H2,1-3H3;3-5,7-8,21,33H,6,9-20H2,1-2H3;4-6,9-10,33H,7-8,11-21H2,1-3H3;2-4,6-7,20,27,32H,5,8-19H2,1H3;3-5,8-9,27,32H,6-7,10-20H2,1-2H3;5-9H,4,10-20H2,1-3H3.
What are the key properties of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-[3-(4-methoxy-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-4-pyrimidin-4-ylbutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-[3-(4-methoxy-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-4-pyrimidin-4-ylbutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 3838.11 g/mol, XLogP of 25.20, 72 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-[3-(4-methoxy-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-4-pyrimidin-4-ylbutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxy-2-oxopentyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-[3-(oxetan-3-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 158977287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).