2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone

C14H24N2O2 — CID 95341116

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
SMILESC[C@@H](O)CN1CCN(C(=O)C[C@@H]2C=CCC2)CC1
InChIInChI=1S/C14H24N2O2/c1-12(17)11-15-6-8-16(9-7-15)14(18)10-13-4-2-3-5-13/h2,4,12-13,17H,3,5-11H2,1H3/t12-,13-/m1/s1
InChIKeyCQBSKZFZQRPUGX-CHWSQXEVSA-N
MW252.36 g/mol
LogP0.87
Rot. Bonds4

About 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone

2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone (PubChem CID 95341116) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
PubChem CID95341116
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
SMILESC[C@@H](O)CN1CCN(C(=O)C[C@@H]2C=CCC2)CC1
InChIInChI=1S/C14H24N2O2/c1-12(17)11-15-6-8-16(9-7-15)14(18)10-13-4-2-3-5-13/h2,4,12-13,17H,3,5-11H2,1H3/t12-,13-/m1/s1
InChIKeyCQBSKZFZQRPUGX-CHWSQXEVSA-N
XLogP0.87
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.87
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-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone
CID 95325711
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
CID 99705972
(2R)-2-[4-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperazin-1-yl]-3-methylbutanenitrile
CID 94825235
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
CID 129348527
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 95218372
2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63248758
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 95299608
1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
CID 79879749
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 95340624
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 100844187
1-[4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperazin-1-yl]-2,2-diphenylethanone
CID 25474366
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone (CID 95341116) is 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone is C[C@@H](O)CN1CCN(C(=O)C[C@@H]2C=CCC2)CC1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone?
The InChIKey is CQBSKZFZQRPUGX-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12(17)11-15-6-8-16(9-7-15)14(18)10-13-4-2-3-5-13/h2,4,12-13,17H,3,5-11H2,1H3/t12-,13-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone?
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone has a molecular weight of 252.36 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95341116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).