(2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide

C21H32N2O — CID 94778967

IUPAC(2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide
SMILESC[C@@H]1C[C@@H](C)CN([C@H](C(=O)NC2CCCCC2)c2ccccc2)C1
InChIInChI=1S/C21H32N2O/c1-16-13-17(2)15-23(14-16)20(18-9-5-3-6-10-18)21(24)22-19-11-7-4-8-12-19/h3,5-6,9-10,16-17,19-20H,4,7-8,11-15H2,1-2H3,(H,22,24)/t16-,17-,20+/m1/s1
InChIKeyVXGAVIRQFRIIMO-HLIPFELVSA-N
MW328.50 g/mol
LogP4.15
Rot. Bonds4

About (2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide

(2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide (PubChem CID 94778967) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide
PubChem CID94778967
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name(2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide
SMILESC[C@@H]1C[C@@H](C)CN([C@H](C(=O)NC2CCCCC2)c2ccccc2)C1
InChIInChI=1S/C21H32N2O/c1-16-13-17(2)15-23(14-16)20(18-9-5-3-6-10-18)21(24)22-19-11-7-4-8-12-19/h3,5-6,9-10,16-17,19-20H,4,7-8,11-15H2,1-2H3,(H,22,24)/t16-,17-,20+/m1/s1
InChIKeyVXGAVIRQFRIIMO-HLIPFELVSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide 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

(2S)-N-cyclopropyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide
CID 51887029
2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide
CID 63568815
N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-4-phenylbutanamide
CID 51361418
N-cyclopropyl-2-[3-(methylamino)piperidin-1-yl]-2-phenylacetamide
CID 119918563
(2R)-N-cyclohexyl-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 39350754
2-(3,5-dimethylpiperidin-1-yl)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 4130031
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-yl)acetamide
CID 94778986
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825
(2R)-N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 94778949
(2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 94778907
(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 94797745

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide (CID 94778967) is (2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide is C[C@@H]1C[C@@H](C)CN([C@H](C(=O)NC2CCCCC2)c2ccccc2)C1.
What is the InChIKey of (2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide?
The InChIKey is VXGAVIRQFRIIMO-HLIPFELVSA-N. The full InChI is InChI=1S/C21H32N2O/c1-16-13-17(2)15-23(14-16)20(18-9-5-3-6-10-18)21(24)22-19-11-7-4-8-12-19/h3,5-6,9-10,16-17,19-20H,4,7-8,11-15H2,1-2H3,(H,22,24)/t16-,17-,20+/m1/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide?
(2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide has a molecular weight of 328.50 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 94778967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).