N-(3-chloro-4-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide

C18H20ClN3O — CID 46384713

IUPACN-(3-chloro-4-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ccncc3)CC2)cc1Cl
InChIInChI=1S/C18H20ClN3O/c1-13-2-3-15(12-17(13)19)21-18(23)14-6-10-22(11-7-14)16-4-8-20-9-5-16/h2-5,8-9,12,14H,6-7,10-11H2,1H3,(H,21,23)
InChIKeyOCGZCWSCHYPTKU-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.90
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide

N-(3-chloro-4-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 46384713) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID46384713
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC NameN-(3-chloro-4-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ccncc3)CC2)cc1Cl
InChIInChI=1S/C18H20ClN3O/c1-13-2-3-15(12-17(13)19)21-18(23)14-6-10-22(11-7-14)16-4-8-20-9-5-16/h2-5,8-9,12,14H,6-7,10-11H2,1H3,(H,21,23)
InChIKeyOCGZCWSCHYPTKU-UHFFFAOYSA-N
XLogP3.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide (CID 46384713) is N-(3-chloro-4-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3ccncc3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is OCGZCWSCHYPTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-13-2-3-15(12-17(13)19)21-18(23)14-6-10-22(11-7-14)16-4-8-20-9-5-16/h2-5,8-9,12,14H,6-7,10-11H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46384713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).