(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide

C19H20ClN3O2 — CID 8865149

IUPAC(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1Cl)[C@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C19H20ClN3O2/c20-16-10-4-5-11-17(16)22-18(24)14-7-6-12-23(13-14)19(25)21-15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2,(H,21,25)(H,22,24)/t14-/m0/s1
InChIKeyPXLLSRBUMWPBHO-AWEZNQCLSA-N
MW357.84 g/mol
LogP4.22
Rot. Bonds3

About (3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide

(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 8865149) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is (3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID8865149
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1Cl)[C@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C19H20ClN3O2/c20-16-10-4-5-11-17(16)22-18(24)14-7-6-12-23(13-14)19(25)21-15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2,(H,21,25)(H,22,24)/t14-/m0/s1
InChIKeyPXLLSRBUMWPBHO-AWEZNQCLSA-N
XLogP4.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119422273
(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7206111
3-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 42925498
(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
(3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 26586333
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide (CID 8865149) is (3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide is O=C(Nc1ccccc1Cl)[C@H]1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of (3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is PXLLSRBUMWPBHO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-16-10-4-5-11-17(16)22-18(24)14-7-6-12-23(13-14)19(25)21-15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2,(H,21,25)(H,22,24)/t14-/m0/s1.
What are the key properties of (3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 357.84 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 8865149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).