N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide

C18H20ClN3O — CID 46384627

IUPACN-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCCN(c2ccncc2)C1
InChIInChI=1S/C18H20ClN3O/c19-16-5-1-3-14(11-16)12-21-18(23)15-4-2-10-22(13-15)17-6-8-20-9-7-17/h1,3,5-9,11,15H,2,4,10,12-13H2,(H,21,23)
InChIKeyMYVGJPFVIVIXRD-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.27
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide

N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 46384627) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
PubChem CID46384627
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC NameN-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCCN(c2ccncc2)C1
InChIInChI=1S/C18H20ClN3O/c19-16-5-1-3-14(11-16)12-21-18(23)15-4-2-10-22(13-15)17-6-8-20-9-7-17/h1,3,5-9,11,15H,2,4,10,12-13H2,(H,21,23)
InChIKeyMYVGJPFVIVIXRD-UHFFFAOYSA-N
XLogP3.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide (CID 46384627) is N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide is O=C(NCc1cccc(Cl)c1)C1CCCN(c2ccncc2)C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is MYVGJPFVIVIXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-16-5-1-3-14(11-16)12-21-18(23)15-4-2-10-22(13-15)17-6-8-20-9-7-17/h1,3,5-9,11,15H,2,4,10,12-13H2,(H,21,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46384627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).