2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

C21H25ClN2O2 — CID 120553364

IUPAC2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NC2CCNCC2C)cc1.Cl
InChIInChI=1S/C21H24N2O2.ClH/c1-14-7-9-16(10-8-14)20(24)17-5-3-4-6-18(17)21(25)23-19-11-12-22-13-15(19)2;/h3-10,15,19,22H,11-13H2,1-2H3,(H,23,25);1H
InChIKeyRQUBWXBNZCDBOC-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.38
Rot. Bonds4

About 2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120553364) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120553364
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NC2CCNCC2C)cc1.Cl
InChIInChI=1S/C21H24N2O2.ClH/c1-14-7-9-16(10-8-14)20(24)17-5-3-4-6-18(17)21(25)23-19-11-12-22-13-15(19)2;/h3-10,15,19,22H,11-13H2,1-2H3,(H,23,25);1H
InChIKeyRQUBWXBNZCDBOC-UHFFFAOYSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557218
2-benzamido-N-(3-methylpiperidin-4-yl)benzamide
CID 120557141
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
2-methyl-N-(3-methylpiperidin-4-yl)-3-nitrobenzamide;hydrochloride
CID 120556204
4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 120554553
2-methyl-N-(3-methylpiperidin-4-yl)-3-nitrobenzamide
CID 120556205
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide
CID 119456900
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103
3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555221
2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575467

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120553364) is 2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is Cc1ccc(C(=O)c2ccccc2C(=O)NC2CCNCC2C)cc1.Cl.
What is the InChIKey of 2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is RQUBWXBNZCDBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2.ClH/c1-14-7-9-16(10-8-14)20(24)17-5-3-4-6-18(17)21(25)23-19-11-12-22-13-15(19)2;/h3-10,15,19,22H,11-13H2,1-2H3,(H,23,25);1H.
What are the key properties of 2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120553364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).