(3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide

C20H21ClN2O2 — CID 42462168

IUPAC(3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide
SMILESO=C(c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C20H21ClN2O2/c21-18-10-4-8-16(12-18)19(24)17-9-5-11-23(14-17)20(25)22-13-15-6-2-1-3-7-15/h1-4,6-8,10,12,17H,5,9,11,13-14H2,(H,22,25)/t17-/m1/s1
InChIKeyWUFPMKMYOSTOMM-QGZVFWFLSA-N
MW356.85 g/mol
LogP4.14
Rot. Bonds4

About (3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide

(3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide (PubChem CID 42462168) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is (3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide
PubChem CID42462168
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name(3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide
SMILESO=C(c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C20H21ClN2O2/c21-18-10-4-8-16(12-18)19(24)17-9-5-11-23(14-17)20(25)22-13-15-6-2-1-3-7-15/h1-4,6-8,10,12,17H,5,9,11,13-14H2,(H,22,25)/t17-/m1/s1
InChIKeyWUFPMKMYOSTOMM-QGZVFWFLSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110394499
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169
N-benzylazonane-1-carboxamide
CID 130689649
1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone
CID 45202769
methyl 2-[[3-(3-chlorobenzoyl)piperidine-1-carbonyl]amino]benzoate
CID 45169004
N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 45183967
(3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 42363244
(3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 25385725
1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
CID 43815765
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
(3-chlorophenyl)-[1-(2-hydroxyethyl)piperidin-3-yl]methanone
CID 126462062
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide
CID 93060233

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide (CID 42462168) is (3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide is O=C(c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)NCc2ccccc2)C1.
What is the InChIKey of (3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide?
The InChIKey is WUFPMKMYOSTOMM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-18-10-4-8-16(12-18)19(24)17-9-5-11-23(14-17)20(25)22-13-15-6-2-1-3-7-15/h1-4,6-8,10,12,17H,5,9,11,13-14H2,(H,22,25)/t17-/m1/s1.
What are the key properties of (3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide?
(3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide has a molecular weight of 356.85 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 42462168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).