N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide

C13H17ClN2O — CID 707662

IUPACN-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C13H17ClN2O/c1-10-5-7-16(8-6-10)13(17)15-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8H2,1H3,(H,15,17)
InChIKeyRFVBDBYICMFWTI-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.60
Rot. Bonds1

About N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide

N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide (PubChem CID 707662) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
PubChem CID707662
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C13H17ClN2O/c1-10-5-7-16(8-6-10)13(17)15-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8H2,1H3,(H,15,17)
InChIKeyRFVBDBYICMFWTI-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 93221455
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide
CID 79158927
4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23071803
2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345847

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide (CID 707662) is N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is RFVBDBYICMFWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-10-5-7-16(8-6-10)13(17)15-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8H2,1H3,(H,15,17).
What are the key properties of N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide?
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 707662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).