N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide

C20H21ClN2O2 — CID 55874085

IUPACN-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H21ClN2O2/c1-14-2-4-15(5-3-14)19(24)16-10-12-23(13-11-16)20(25)22-18-8-6-17(21)7-9-18/h2-9,16H,10-13H2,1H3,(H,22,25)
InChIKeyJEXJFBVGRFFQGO-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.78
Rot. Bonds3

About N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide

N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide (PubChem CID 55874085) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide
PubChem CID55874085
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H21ClN2O2/c1-14-2-4-15(5-3-14)19(24)16-10-12-23(13-11-16)20(25)22-18-8-6-17(21)7-9-18/h2-9,16H,10-13H2,1H3,(H,22,25)
InChIKeyJEXJFBVGRFFQGO-UHFFFAOYSA-N
XLogP4.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide
CID 60969957
N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824394
N-(3-chlorophenyl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide
CID 17445680
3-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90587847
4-(4-methylbenzoyl)-N-(3-pyridin-4-yloxyphenyl)piperidine-1-carboxamide
CID 86940300
(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438183
4-[2-(4-chlorophenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109898
(4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 55956853

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide (CID 55874085) is N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide is Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide?
The InChIKey is JEXJFBVGRFFQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-14-2-4-15(5-3-14)19(24)16-10-12-23(13-11-16)20(25)22-18-8-6-17(21)7-9-18/h2-9,16H,10-13H2,1H3,(H,22,25).
What are the key properties of N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide?
N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide has a molecular weight of 356.85 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 55874085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).