(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide

C25H26N2O2 — CID 93490714

IUPAC(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C25H26N2O2/c28-25(21-10-7-17-27(19-21)18-20-8-3-1-4-9-20)26-22-13-15-24(16-14-22)29-23-11-5-2-6-12-23/h1-6,8-9,11-16,21H,7,10,17-19H2,(H,26,28)/t21-/m0/s1
InChIKeyMTCRHBKOMXRTHQ-NRFANRHFSA-N
MW386.50 g/mol
LogP5.33
Rot. Bonds6

About (3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide

(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide (PubChem CID 93490714) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
PubChem CID93490714
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C25H26N2O2/c28-25(21-10-7-17-27(19-21)18-20-8-3-1-4-9-20)26-22-13-15-24(16-14-22)29-23-11-5-2-6-12-23/h1-6,8-9,11-16,21H,7,10,17-19H2,(H,26,28)/t21-/m0/s1
InChIKeyMTCRHBKOMXRTHQ-NRFANRHFSA-N
XLogP5.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide 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

1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43919796
1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925293
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
(3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 93491646
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 60563034
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43933246

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide (CID 93490714) is (3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide?
The InChIKey is MTCRHBKOMXRTHQ-NRFANRHFSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-25(21-10-7-17-27(19-21)18-20-8-3-1-4-9-20)26-22-13-15-24(16-14-22)29-23-11-5-2-6-12-23/h1-6,8-9,11-16,21H,7,10,17-19H2,(H,26,28)/t21-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide?
(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 93490714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).