3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one

C19H18ClN5O — CID 162784483

IUPAC3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one
SMILESO=C1C(Cc2ccc(Cl)cc2)CCCN1c1n[nH]c(-c2ccncc2)n1
InChIInChI=1S/C19H18ClN5O/c20-16-5-3-13(4-6-16)12-15-2-1-11-25(18(15)26)19-22-17(23-24-19)14-7-9-21-10-8-14/h3-10,15H,1-2,11-12H2,(H,22,23,24)
InChIKeyJYKVINRROJQESD-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.51
Rot. Bonds4

About 3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one

3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one (PubChem CID 162784483) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one
PubChem CID162784483
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one
SMILESO=C1C(Cc2ccc(Cl)cc2)CCCN1c1n[nH]c(-c2ccncc2)n1
InChIInChI=1S/C19H18ClN5O/c20-16-5-3-13(4-6-16)12-15-2-1-11-25(18(15)26)19-22-17(23-24-19)14-7-9-21-10-8-14/h3-10,15H,1-2,11-12H2,(H,22,23,24)
InChIKeyJYKVINRROJQESD-UHFFFAOYSA-N
XLogP3.51
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-6-[(4-chlorophenyl)methyl]-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-1,4-diazepan-5-one
CID 175630837
(3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one
CID 162784521
3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one
CID 162784417
(1S,4R,5S)-4-[(4-chlorophenyl)methyl]-2-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2-azabicyclo[3.1.0]hexan-3-one
CID 171795613
(3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784547
3-[(4-chloro-3-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784385
(3S)-3-[(6-chloro-3-pyridinyl)methyl]-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784442
2-fluoro-5-[[(3S)-2-oxo-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]methyl]benzonitrile
CID 162784475
(3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one
CID 162784343
3-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784501
2-fluoro-4-[[(3R)-2-oxo-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]methyl]benzonitrile
CID 162784490
(3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)azepan-2-one
CID 162784532

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one (CID 162784483) is 3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one is O=C1C(Cc2ccc(Cl)cc2)CCCN1c1n[nH]c(-c2ccncc2)n1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one?
The InChIKey is JYKVINRROJQESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c20-16-5-3-13(4-6-16)12-15-2-1-11-25(18(15)26)19-22-17(23-24-19)14-7-9-21-10-8-14/h3-10,15H,1-2,11-12H2,(H,22,23,24).
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one?
3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one has a molecular weight of 367.84 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one is sourced from PubChem (CID 162784483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).