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

C18H20ClN3O — CID 46384677

IUPACN-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H20ClN3O/c19-16-3-1-2-14(12-16)13-21-18(23)15-6-10-22(11-7-15)17-4-8-20-9-5-17/h1-5,8-9,12,15H,6-7,10-11,13H2,(H,21,23)
InChIKeyKASCZIHVTOTJKM-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.27
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 46384677) 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-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID46384677
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC NameN-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H20ClN3O/c19-16-3-1-2-14(12-16)13-21-18(23)15-6-10-22(11-7-15)17-4-8-20-9-5-17/h1-5,8-9,12,15H,6-7,10-11,13H2,(H,21,23)
InChIKeyKASCZIHVTOTJKM-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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Related Compounds

(3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882096
N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152955
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 53202309
1-(2-chloro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453933
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
1-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 1477781
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
N-[(3-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27535031
N-[(3-chlorophenyl)methyl]-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358570
1-[(3-chlorophenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917663
4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478442

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide (CID 46384677) is N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide is O=C(NCc1cccc(Cl)c1)C1CCN(c2ccncc2)CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is KASCZIHVTOTJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-16-3-1-2-14(12-16)13-21-18(23)15-6-10-22(11-7-15)17-4-8-20-9-5-17/h1-5,8-9,12,15H,6-7,10-11,13H2,(H,21,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-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-4-carboxamide is sourced from PubChem (CID 46384677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).