N-(4-chloro-2-methylphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide

C21H23ClN2O2 — CID 1325974

IUPACN-(4-chloro-2-methylphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C21H23ClN2O2/c1-14-5-3-4-6-18(14)21(26)24-11-9-16(10-12-24)20(25)23-19-8-7-17(22)13-15(19)2/h3-8,13,16H,9-12H2,1-2H3,(H,23,25)
InChIKeyYWEBPJSGOLSQCQ-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.45
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide

N-(4-chloro-2-methylphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 1325974) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
PubChem CID1325974
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-(4-chloro-2-methylphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C21H23ClN2O2/c1-14-5-3-4-6-18(14)21(26)24-11-9-16(10-12-24)20(25)23-19-8-7-17(22)13-15(19)2/h3-8,13,16H,9-12H2,1-2H3,(H,23,25)
InChIKeyYWEBPJSGOLSQCQ-UHFFFAOYSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide (CID 1325974) is N-(4-chloro-2-methylphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is YWEBPJSGOLSQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-14-5-3-4-6-18(14)21(26)24-11-9-16(10-12-24)20(25)23-19-8-7-17(22)13-15(19)2/h3-8,13,16H,9-12H2,1-2H3,(H,23,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 1325974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).