5-chloro-3-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C19H18ClN5O3 — CID 95191677

IUPAC5-chloro-3-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc(Cl)c[nH]c1=O)N1CCC[C@H](c2n[nH]c(=O)n2-c2ccccc2)C1
InChIInChI=1S/C19H18ClN5O3/c20-13-9-15(17(26)21-10-13)18(27)24-8-4-5-12(11-24)16-22-23-19(28)25(16)14-6-2-1-3-7-14/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,21,26)(H,23,28)/t12-/m0/s1
InChIKeyCMVNHQMOZQDJFZ-LBPRGKRZSA-N
MW399.84 g/mol
LogP1.92
Rot. Bonds3

About 5-chloro-3-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

5-chloro-3-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 95191677) has the molecular formula C19H18ClN5O3 and a molecular weight of 399.84 g/mol. Its IUPAC name is 5-chloro-3-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID95191677
Molecular FormulaC19H18ClN5O3
Molecular Weight399.84 g/mol
Exact Mass399.11
IUPAC Name5-chloro-3-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc(Cl)c[nH]c1=O)N1CCC[C@H](c2n[nH]c(=O)n2-c2ccccc2)C1
InChIInChI=1S/C19H18ClN5O3/c20-13-9-15(17(26)21-10-13)18(27)24-8-4-5-12(11-24)16-22-23-19(28)25(16)14-6-2-1-3-7-14/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,21,26)(H,23,28)/t12-/m0/s1
InChIKeyCMVNHQMOZQDJFZ-LBPRGKRZSA-N
XLogP1.92
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

3-[(3R)-1-(2-hydroxy-5-methylbenzoyl)piperidin-3-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 95222667
3-[1-(2-hydroxy-5-methylbenzoyl)piperidin-3-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 56719208
3-[1-(2,3-dichlorobenzoyl)piperidin-4-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 122172189
5-[1-(1H-indole-3-carbonyl)piperidin-3-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540989
5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 77090270
3-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 91809791
3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 56875612
3-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 95555320
4-phenyl-3-[(3R)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95200004
4-phenyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 91809903
6-[4-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56708356
6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 56881307

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 95191677) is 5-chloro-3-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cc(Cl)c[nH]c1=O)N1CCC[C@H](c2n[nH]c(=O)n2-c2ccccc2)C1.
What is the InChIKey of 5-chloro-3-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is CMVNHQMOZQDJFZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18ClN5O3/c20-13-9-15(17(26)21-10-13)18(27)24-8-4-5-12(11-24)16-22-23-19(28)25(16)14-6-2-1-3-7-14/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,21,26)(H,23,28)/t12-/m0/s1.
What are the key properties of 5-chloro-3-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
5-chloro-3-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 399.84 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 95191677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).