(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

C26H27FN2O — CID 38102948

IUPAC(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C26H27FN2O/c27-24-15-13-20(14-16-24)18-29-17-7-12-23(19-29)26(30)28-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-16,23,25H,7,12,17-19H2,(H,28,30)/t23-/m0/s1
InChIKeyIYYAKEZLNGMNJO-QHCPKHFHSA-N
MW402.51 g/mol
LogP4.94
Rot. Bonds6

About (3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 38102948) has the molecular formula C26H27FN2O and a molecular weight of 402.51 g/mol. Its IUPAC name is (3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID38102948
Molecular FormulaC26H27FN2O
Molecular Weight402.51 g/mol
Exact Mass402.21
IUPAC Name(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C26H27FN2O/c27-24-15-13-20(14-16-24)18-29-17-7-12-23(19-29)26(30)28-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-16,23,25H,7,12,17-19H2,(H,28,30)/t23-/m0/s1
InChIKeyIYYAKEZLNGMNJO-QHCPKHFHSA-N
XLogP4.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]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

(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851206
(3R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94024257
N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43925897
(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 38102879
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
(3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 94024103
N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925892
(3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 94024744
1-[(4-fluorophenyl)methyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133204271
N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46776821
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43931829
(2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119367101

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 38102948) is (3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of (3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is IYYAKEZLNGMNJO-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H27FN2O/c27-24-15-13-20(14-16-24)18-29-17-7-12-23(19-29)26(30)28-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-16,23,25H,7,12,17-19H2,(H,28,30)/t23-/m0/s1.
What are the key properties of (3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 402.51 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 38102948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).