1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one

C16H19N5O2 — CID 118785701

IUPAC1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one
SMILESO=C(c1cccn2cnnc12)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C16H19N5O2/c22-14-10-19(8-9-21(14)12-4-1-2-5-12)16(23)13-6-3-7-20-11-17-18-15(13)20/h3,6-7,11-12H,1-2,4-5,8-10H2
InChIKeyKCRWJOBTHNOVGG-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.96
Rot. Bonds2

About 1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one

1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one (PubChem CID 118785701) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one
PubChem CID118785701
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one
SMILESO=C(c1cccn2cnnc12)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C16H19N5O2/c22-14-10-19(8-9-21(14)12-4-1-2-5-12)16(23)13-6-3-7-20-11-17-18-15(13)20/h3,6-7,11-12H,1-2,4-5,8-10H2
InChIKeyKCRWJOBTHNOVGG-UHFFFAOYSA-N
XLogP0.96
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one
CID 166612327
(6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one
CID 125167277
1-cyclopropyl-4-(2-pyrazol-1-ylpyridine-3-carbonyl)piperazin-2-one
CID 71863506
(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
CID 146039271
4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one
CID 86287002
(6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 125159084
(10S,13R)-9,10,16-trimethyl-13-(2-methylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-1,4,9,12,15,17-hexazabicyclo[12.3.0]heptadeca-14,16-diene-8,11-dione
CID 166623362
1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one
CID 56918809
4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one
CID 86285127
(5aS,8aS)-5-benzyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,3,5a,6,8,8a-hexahydropyrrolo[3,4-b][1,4]oxazepin-4-one
CID 154571757
4-[3-[1-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 167926584
2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176500913

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one (CID 118785701) is 1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one is O=C(c1cccn2cnnc12)N1CCN(C2CCCC2)C(=O)C1.
What is the InChIKey of 1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one?
The InChIKey is KCRWJOBTHNOVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-14-10-19(8-9-21(14)12-4-1-2-5-12)16(23)13-6-3-7-20-11-17-18-15(13)20/h3,6-7,11-12H,1-2,4-5,8-10H2.
What are the key properties of 1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one?
1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one has a molecular weight of 313.36 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one is sourced from PubChem (CID 118785701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).