1-(3-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C21H23ClN2O2 — CID 1329399

IUPAC1-(3-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H23ClN2O2/c1-15-5-7-16(8-6-15)14-23-20(25)17-9-11-24(12-10-17)21(26)18-3-2-4-19(22)13-18/h2-8,13,17H,9-12,14H2,1H3,(H,23,25)
InChIKeyPCMLTSXXMQWRCA-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.82
Rot. Bonds4

About 1-(3-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

1-(3-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 1329399) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID1329399
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name1-(3-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H23ClN2O2/c1-15-5-7-16(8-6-15)14-23-20(25)17-9-11-24(12-10-17)21(26)18-3-2-4-19(22)13-18/h2-8,13,17H,9-12,14H2,1H3,(H,23,25)
InChIKeyPCMLTSXXMQWRCA-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 1329399) is 1-(3-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-(3-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is PCMLTSXXMQWRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-15-5-7-16(8-6-15)14-23-20(25)17-9-11-24(12-10-17)21(26)18-3-2-4-19(22)13-18/h2-8,13,17H,9-12,14H2,1H3,(H,23,25).
What are the key properties of 1-(3-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
1-(3-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 1329399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).