(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide

C19H21ClN2O — CID 93490524

IUPAC(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21ClN2O/c20-17-9-4-10-18(12-17)21-19(23)16-8-5-11-22(14-16)13-15-6-2-1-3-7-15/h1-4,6-7,9-10,12,16H,5,8,11,13-14H2,(H,21,23)/t16-/m0/s1
InChIKeyXGQXFKQBXIEUOU-INIZCTEOSA-N
MW328.84 g/mol
LogP4.19
Rot. Bonds4

About (3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide

(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide (PubChem CID 93490524) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is (3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
PubChem CID93490524
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21ClN2O/c20-17-9-4-10-18(12-17)21-19(23)16-8-5-11-22(14-16)13-15-6-2-1-3-7-15/h1-4,6-7,9-10,12,16H,5,8,11,13-14H2,(H,21,23)/t16-/m0/s1
InChIKeyXGQXFKQBXIEUOU-INIZCTEOSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119438547
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
1-benzyl-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60562957
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962
1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 60563034
1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 43921370
1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
CID 43923883
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide (CID 93490524) is (3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide is O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide?
The InChIKey is XGQXFKQBXIEUOU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-17-9-4-10-18(12-17)21-19(23)16-8-5-11-22(14-16)13-15-6-2-1-3-7-15/h1-4,6-7,9-10,12,16H,5,8,11,13-14H2,(H,21,23)/t16-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide?
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide has a molecular weight of 328.84 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 93490524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).