4-[1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carbonyl]-1-cyclopentylpiperazin-2-one

C19H21ClFN5O2 — CID 25306791

IUPAC4-[1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carbonyl]-1-cyclopentylpiperazin-2-one
SMILESO=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C19H21ClFN5O2/c20-16-9-14(21)6-5-13(16)10-25-11-17(22-23-25)19(28)24-7-8-26(18(27)12-24)15-3-1-2-4-15/h5-6,9,11,15H,1-4,7-8,10,12H2
InChIKeyGVDLORNQLKLWMO-UHFFFAOYSA-N
MW405.86 g/mol
LogP2.35
Rot. Bonds4

About 4-[1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carbonyl]-1-cyclopentylpiperazin-2-one

4-[1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carbonyl]-1-cyclopentylpiperazin-2-one (PubChem CID 25306791) has the molecular formula C19H21ClFN5O2 and a molecular weight of 405.86 g/mol. Its IUPAC name is 4-[1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carbonyl]-1-cyclopentylpiperazin-2-one.

Molecular Properties

Compound Name4-[1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carbonyl]-1-cyclopentylpiperazin-2-one
PubChem CID25306791
Molecular FormulaC19H21ClFN5O2
Molecular Weight405.86 g/mol
Exact Mass405.14
IUPAC Name4-[1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carbonyl]-1-cyclopentylpiperazin-2-one
SMILESO=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C19H21ClFN5O2/c20-16-9-14(21)6-5-13(16)10-25-11-17(22-23-25)19(28)24-7-8-26(18(27)12-24)15-3-1-2-4-15/h5-6,9,11,15H,1-4,7-8,10,12H2
InChIKeyGVDLORNQLKLWMO-UHFFFAOYSA-N
XLogP2.35
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-chloro-4-fluorophenyl)methyl]triazol-4-yl]-(4-cyclopentyl-1,4-diazepan-1-yl)methanone
CID 42509865
[1-[(2-chloro-4-fluorophenyl)methyl]triazol-4-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 25294819
[1-[(2-chloro-4-fluorophenyl)methyl]triazol-4-yl]-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 25294824
[1-[(2-chloro-4-fluorophenyl)methyl]triazol-4-yl]-[(3R)-3-(2-methylphenyl)piperidin-1-yl]methanone
CID 25479906
1-[(2-chloro-4-fluorophenyl)methyl]-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]triazole-4-carboxamide
CID 45191567
[(3R)-3-(4-chlorophenyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]triazol-4-yl]methanone
CID 25306511
1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one
CID 46964597
4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one
CID 86285127
4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one
CID 42357884
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 25279493
4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one
CID 136561683
[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 24791999

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carbonyl]-1-cyclopentylpiperazin-2-one?
The IUPAC name of 4-[1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carbonyl]-1-cyclopentylpiperazin-2-one (CID 25306791) is 4-[1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carbonyl]-1-cyclopentylpiperazin-2-one.
What is the SMILES notation for 4-[1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carbonyl]-1-cyclopentylpiperazin-2-one?
The canonical SMILES for 4-[1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carbonyl]-1-cyclopentylpiperazin-2-one is O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCN(C2CCCC2)C(=O)C1.
What is the InChIKey of 4-[1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carbonyl]-1-cyclopentylpiperazin-2-one?
The InChIKey is GVDLORNQLKLWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5O2/c20-16-9-14(21)6-5-13(16)10-25-11-17(22-23-25)19(28)24-7-8-26(18(27)12-24)15-3-1-2-4-15/h5-6,9,11,15H,1-4,7-8,10,12H2.
What are the key properties of 4-[1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carbonyl]-1-cyclopentylpiperazin-2-one?
4-[1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carbonyl]-1-cyclopentylpiperazin-2-one has a molecular weight of 405.86 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carbonyl]-1-cyclopentylpiperazin-2-one is sourced from PubChem (CID 25306791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).