(3S,5S,6S)-6-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-3-prop-2-enylpiperidin-2-one

C30H33Cl2N3O2 — CID 129153482

IUPAC(3S,5S,6S)-6-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-3-prop-2-enylpiperidin-2-one
SMILESC=CC[C@@]1(C)C[C@H](Cc2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC)c2nc(C3CC3)no2)C1=O
InChIInChI=1S/C30H33Cl2N3O2/c1-4-15-30(3)18-22(16-19-7-6-8-24(32)17-19)26(20-11-13-23(31)14-12-20)35(29(30)36)25(5-2)28-33-27(34-37-28)21-9-10-21/h4,6-8,11-14,17,21-22,25-26H,1,5,9-10,15-16,18H2,2-3H3/t22-,25-,26+,30-/m0/s1
InChIKeyXTLCHBMGZLJKBL-UGMGLIFWSA-N
MW538.52 g/mol
LogP8.12
Rot. Bonds9

About (3S,5S,6S)-6-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-3-prop-2-enylpiperidin-2-one

(3S,5S,6S)-6-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-3-prop-2-enylpiperidin-2-one (PubChem CID 129153482) has the molecular formula C30H33Cl2N3O2 and a molecular weight of 538.52 g/mol. Its IUPAC name is (3S,5S,6S)-6-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-3-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name(3S,5S,6S)-6-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-3-prop-2-enylpiperidin-2-one
PubChem CID129153482
Molecular FormulaC30H33Cl2N3O2
Molecular Weight538.52 g/mol
Exact Mass537.19
IUPAC Name(3S,5S,6S)-6-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-3-prop-2-enylpiperidin-2-one
SMILESC=CC[C@@]1(C)C[C@H](Cc2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC)c2nc(C3CC3)no2)C1=O
InChIInChI=1S/C30H33Cl2N3O2/c1-4-15-30(3)18-22(16-19-7-6-8-24(32)17-19)26(20-11-13-23(31)14-12-20)35(29(30)36)25(5-2)28-33-27(34-37-28)21-9-10-21/h4,6-8,11-14,17,21-22,25-26H,1,5,9-10,15-16,18H2,2-3H3/t22-,25-,26+,30-/m0/s1
InChIKeyXTLCHBMGZLJKBL-UGMGLIFWSA-N
XLogP8.12
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.52
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S,5S,6S)-6-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-3-prop-2-enylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-2-oxopiperidin-3-yl]acetic acid
CID 174193193
(3S,5R,6S)-5-(3-chlorophenyl)-6-[(3R)-3-(4-chlorophenyl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-3-prop-2-enylpiperidin-2-one
CID 89481444
(2S)-2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butanal
CID 86660728
2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butanal
CID 88546685
(3S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[1-(oxolan-2-yl)propyl]-3-prop-2-enylpiperidin-2-one
CID 70644590
5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-hexan-3-yl-3-methyl-3-prop-2-enylpiperidin-2-one
CID 123577640
(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(1-hydroxybutan-2-yl)-3-methyl-3-prop-2-enylpiperidin-2-one
CID 67998767
2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butanoic acid
CID 76834394
(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(3S)-6-hydroxyheptan-3-yl]-3-methyl-3-prop-2-enylpiperidin-2-one
CID 67999318
(3S,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(5-oxohexan-3-yl)-3-prop-2-enylpiperidin-2-one
CID 170188526
(3S,5R)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(2S)-1-(methylamino)butan-2-yl]-3-prop-2-enylpiperidin-2-one
CID 58573779
3-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one;3-[(2S)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one
CID 161152554

Frequently Asked Questions

What is the IUPAC name of (3S,5S,6S)-6-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-3-prop-2-enylpiperidin-2-one?
The IUPAC name of (3S,5S,6S)-6-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-3-prop-2-enylpiperidin-2-one (CID 129153482) is (3S,5S,6S)-6-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-3-prop-2-enylpiperidin-2-one.
What is the SMILES notation for (3S,5S,6S)-6-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-3-prop-2-enylpiperidin-2-one?
The canonical SMILES for (3S,5S,6S)-6-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-3-prop-2-enylpiperidin-2-one is C=CC[C@@]1(C)C[C@H](Cc2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC)c2nc(C3CC3)no2)C1=O.
What is the InChIKey of (3S,5S,6S)-6-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-3-prop-2-enylpiperidin-2-one?
The InChIKey is XTLCHBMGZLJKBL-UGMGLIFWSA-N. The full InChI is InChI=1S/C30H33Cl2N3O2/c1-4-15-30(3)18-22(16-19-7-6-8-24(32)17-19)26(20-11-13-23(31)14-12-20)35(29(30)36)25(5-2)28-33-27(34-37-28)21-9-10-21/h4,6-8,11-14,17,21-22,25-26H,1,5,9-10,15-16,18H2,2-3H3/t22-,25-,26+,30-/m0/s1.
What are the key properties of (3S,5S,6S)-6-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-3-prop-2-enylpiperidin-2-one?
(3S,5S,6S)-6-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-3-prop-2-enylpiperidin-2-one has a molecular weight of 538.52 g/mol, XLogP of 8.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S,6S)-6-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-3-methyl-3-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 129153482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).