4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide

C18H20ClN3O — CID 91624801

IUPAC4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
SMILESO=C(NCC1CCN(c2cccnc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O/c19-16-5-3-15(4-6-16)18(23)21-12-14-7-10-22(11-8-14)17-2-1-9-20-13-17/h1-6,9,13-14H,7-8,10-12H2,(H,21,23)
InChIKeyXODSJIWLIBRVTG-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.38
Rot. Bonds4

About 4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide

4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 91624801) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
PubChem CID91624801
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
SMILESO=C(NCC1CCN(c2cccnc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O/c19-16-5-3-15(4-6-16)18(23)21-12-14-7-10-22(11-8-14)17-2-1-9-20-13-17/h1-6,9,13-14H,7-8,10-12H2,(H,21,23)
InChIKeyXODSJIWLIBRVTG-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide
CID 91624832
1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624876
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 100678446
2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624812
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295
(1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 100712572
4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
CID 53181025
1-(2-phenoxyethyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624883
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786323
N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
CID 25259860

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide (CID 91624801) is 4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide is O=C(NCC1CCN(c2cccnc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is XODSJIWLIBRVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-16-5-3-15(4-6-16)18(23)21-12-14-7-10-22(11-8-14)17-2-1-9-20-13-17/h1-6,9,13-14H,7-8,10-12H2,(H,21,23).
What are the key properties of 4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide?
4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 329.83 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 91624801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).