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

C13H17ClN2O — CID 63132655

IUPACN-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)Nc2cccc(Cl)c2)CCCNC1
InChIInChI=1S/C13H17ClN2O/c1-13(6-3-7-15-9-13)12(17)16-11-5-2-4-10(14)8-11/h2,4-5,8,15H,3,6-7,9H2,1H3,(H,16,17)
InChIKeyWFFCUDIQKJHYTI-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.67
Rot. Bonds2

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

N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide (PubChem CID 63132655) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
PubChem CID63132655
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)Nc2cccc(Cl)c2)CCCNC1
InChIInChI=1S/C13H17ClN2O/c1-13(6-3-7-15-9-13)12(17)16-11-5-2-4-10(14)8-11/h2,4-5,8,15H,3,6-7,9H2,1H3,(H,16,17)
InChIKeyWFFCUDIQKJHYTI-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide (CID 63132655) is N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide is CC1(C(=O)Nc2cccc(Cl)c2)CCCNC1.
What is the InChIKey of N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is WFFCUDIQKJHYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-13(6-3-7-15-9-13)12(17)16-11-5-2-4-10(14)8-11/h2,4-5,8,15H,3,6-7,9H2,1H3,(H,16,17).
What are the key properties of N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide?
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63132655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).