2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone

C16H24N4O — CID 129329869

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
SMILESCCN1CCN(C(=O)C[C@H]2C=CCC2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C16H24N4O/c1-2-19-9-10-20(12-14(19)16-17-7-8-18-16)15(21)11-13-5-3-4-6-13/h3,5,7-8,13-14H,2,4,6,9-12H2,1H3,(H,17,18)/t13-,14+/m0/s1
InChIKeyGWIAEPGDEUUDPI-UONOGXRCSA-N
MW288.39 g/mol
LogP1.97
Rot. Bonds4

About 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone

2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 129329869) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID129329869
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
SMILESCCN1CCN(C(=O)C[C@H]2C=CCC2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C16H24N4O/c1-2-19-9-10-20(12-14(19)16-17-7-8-18-16)15(21)11-13-5-3-4-6-13/h3,5,7-8,13-14H,2,4,6,9-12H2,1H3,(H,17,18)/t13-,14+/m0/s1
InChIKeyGWIAEPGDEUUDPI-UONOGXRCSA-N
XLogP1.97
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-cyclopent-2-en-1-yl]-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone
CID 129331096
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 129330524
1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one
CID 129334597
1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one
CID 129331737
5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile
CID 136543974
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 128997843
3-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 129336485
[(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 129338372
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 128992146
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129338090
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 129329971
3-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]-4-methyl-1H-pyridin-2-one
CID 167822537

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone (CID 129329869) is 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone is CCN1CCN(C(=O)C[C@H]2C=CCC2)C[C@@H]1c1ncc[nH]1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is GWIAEPGDEUUDPI-UONOGXRCSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-19-9-10-20(12-14(19)16-17-7-8-18-16)15(21)11-13-5-3-4-6-13/h3,5,7-8,13-14H,2,4,6,9-12H2,1H3,(H,17,18)/t13-,14+/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone?
2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 129329869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).