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

C13H18N2O — CID 4047647

IUPACN-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H18N2O/c1-11-5-7-12(8-6-11)14-13(16)15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,14,16)
InChIKeyNSXGCPYCUKGQIL-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.01
Rot. Bonds1

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

N-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 4047647) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID4047647
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H18N2O/c1-11-5-7-12(8-6-11)14-13(16)15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,14,16)
InChIKeyNSXGCPYCUKGQIL-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)piperidine-1-carboxamide (CID 4047647) is N-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is NSXGCPYCUKGQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11-5-7-12(8-6-11)14-13(16)15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,14,16).
What are the key properties of N-(4-methylphenyl)piperidine-1-carboxamide?
N-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 4047647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).