2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone

C14H20N4O — CID 131945624

IUPAC2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1C=CCC1)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C14H20N4O/c19-13(9-11-3-1-2-4-11)18-7-5-12(6-8-18)14-15-10-16-17-14/h1,3,10-12H,2,4-9H2,(H,15,16,17)
InChIKeyLTQZOMONDYSEPN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.87
Rot. Bonds3

About 2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone

2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 131945624) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
PubChem CID131945624
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1C=CCC1)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C14H20N4O/c19-13(9-11-3-1-2-4-11)18-7-5-12(6-8-18)14-15-10-16-17-14/h1,3,10-12H,2,4-9H2,(H,15,16,17)
InChIKeyLTQZOMONDYSEPN-UHFFFAOYSA-N
XLogP1.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

3-ethylsulfanyl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
CID 90648217
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39965110
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
CID 129348527
2-cyclopent-2-en-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 60740516
2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63248758
1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 136513258
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone
CID 92624514
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
CID 99705972
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 92598280
2-cyclopent-2-en-1-yl-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926754
1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid
CID 129469400
pyrrolidin-1-yl-[(3S,5S)-5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone
CID 133118108

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone (CID 131945624) is 2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone is O=C(CC1C=CCC1)N1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is LTQZOMONDYSEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c19-13(9-11-3-1-2-4-11)18-7-5-12(6-8-18)14-15-10-16-17-14/h1,3,10-12H,2,4-9H2,(H,15,16,17).
What are the key properties of 2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 260.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 131945624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).