4-phenyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one

C23H21N5O2 — CID 91809903

IUPAC4-phenyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
SMILESO=C(c1ccc2ccccc2n1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1
InChIInChI=1S/C23H21N5O2/c29-22(20-11-10-16-6-4-5-9-19(16)24-20)27-14-12-17(13-15-27)21-25-26-23(30)28(21)18-7-2-1-3-8-18/h1-11,17H,12-15H2,(H,26,30)
InChIKeyHHZORVUZMIUXLW-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.13
Rot. Bonds3

About 4-phenyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one

4-phenyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one (PubChem CID 91809903) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-phenyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-phenyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
PubChem CID91809903
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name4-phenyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
SMILESO=C(c1ccc2ccccc2n1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1
InChIInChI=1S/C23H21N5O2/c29-22(20-11-10-16-6-4-5-9-19(16)24-20)27-14-12-17(13-15-27)21-25-26-23(30)28(21)18-7-2-1-3-8-18/h1-11,17H,12-15H2,(H,26,30)
InChIKeyHHZORVUZMIUXLW-UHFFFAOYSA-N
XLogP3.13
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenyl)-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 91890702
6-[4-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56708356
3-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 91809791
3-[1-(2,3-dichlorobenzoyl)piperidin-4-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 122172189
3-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 56709135
3-[1-(2-ethoxybenzoyl)piperidin-4-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 91809875
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231
(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 90586527
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 46511035
[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 127247164

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-phenyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one (CID 91809903) is 4-phenyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-phenyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-phenyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one is O=C(c1ccc2ccccc2n1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The InChIKey is HHZORVUZMIUXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-22(20-11-10-16-6-4-5-9-19(16)24-20)27-14-12-17(13-15-27)21-25-26-23(30)28(21)18-7-2-1-3-8-18/h1-11,17H,12-15H2,(H,26,30).
What are the key properties of 4-phenyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
4-phenyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one has a molecular weight of 399.45 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 91809903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).