N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide

C13H17ClN2O — CID 853765

IUPACN-(3-chloro-4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C13H17ClN2O/c1-10-5-6-11(9-12(10)14)15-13(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyUUJPQUURGSOBTQ-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.67
Rot. Bonds1

About N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide

N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide (PubChem CID 853765) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)piperidine-1-carboxamide
PubChem CID853765
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-(3-chloro-4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C13H17ClN2O/c1-10-5-6-11(9-12(10)14)15-13(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyUUJPQUURGSOBTQ-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide (CID 853765) is N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is UUJPQUURGSOBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-10-5-6-11(9-12(10)14)15-13(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,15,17).
What are the key properties of N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide?
N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 853765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).