4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide

C20H21ClN2O2 — CID 68593380

IUPAC4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
SMILESCc1ccc(C(=O)N2CCCC(NC(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C20H21ClN2O2/c1-14-4-6-16(7-5-14)20(25)23-12-2-3-18(13-23)22-19(24)15-8-10-17(21)11-9-15/h4-11,18H,2-3,12-13H2,1H3,(H,22,24)
InChIKeyIBGMXFAMNPZUHI-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.68
Rot. Bonds3

About 4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide

4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide (PubChem CID 68593380) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
PubChem CID68593380
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
SMILESCc1ccc(C(=O)N2CCCC(NC(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C20H21ClN2O2/c1-14-4-6-16(7-5-14)20(25)23-12-2-3-18(13-23)22-19(24)15-8-10-17(21)11-9-15/h4-11,18H,2-3,12-13H2,1H3,(H,22,24)
InChIKeyIBGMXFAMNPZUHI-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767
[3-[(S)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 160998375
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 53150189
N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048985
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
N-cyclobutyl-4-methylbenzamide
CID 23530676
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate
CID 68593392

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide (CID 68593380) is 4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide is Cc1ccc(C(=O)N2CCCC(NC(=O)c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide?
The InChIKey is IBGMXFAMNPZUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-14-4-6-16(7-5-14)20(25)23-12-2-3-18(13-23)22-19(24)15-8-10-17(21)11-9-15/h4-11,18H,2-3,12-13H2,1H3,(H,22,24).
What are the key properties of 4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide?
4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide has a molecular weight of 356.85 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 68593380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).