2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone

C16H26N2O2 — CID 100844187

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
SMILESO=C(C[C@@H]1C=CCC1)N1CCN([C@@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C16H26N2O2/c19-15-7-3-6-14(15)17-8-10-18(11-9-17)16(20)12-13-4-1-2-5-13/h1,4,13-15,19H,2-3,5-12H2/t13-,14-,15+/m1/s1
InChIKeyYJBVQZBEMNUPMY-KFWWJZLASA-N
MW278.40 g/mol
LogP1.40
Rot. Bonds3

About 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone

2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone (PubChem CID 100844187) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
PubChem CID100844187
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
SMILESO=C(C[C@@H]1C=CCC1)N1CCN([C@@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C16H26N2O2/c19-15-7-3-6-14(15)17-8-10-18(11-9-17)16(20)12-13-4-1-2-5-13/h1,4,13-15,19H,2-3,5-12H2/t13-,14-,15+/m1/s1
InChIKeyYJBVQZBEMNUPMY-KFWWJZLASA-N
XLogP1.40
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.40
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-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
CID 99705972
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 95218372
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-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95341116
2-cyclopent-2-en-1-yl-1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]ethanone
CID 122133256
1-[4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperazin-1-yl]-2,2-diphenylethanone
CID 25474366
1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
CID 61297208
2-cyclopent-2-en-1-yl-1-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 71979323
2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63248758
2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone
CID 51092131
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 9368511

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone (CID 100844187) is 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone is O=C(C[C@@H]1C=CCC1)N1CCN([C@@H]2CCC[C@@H]2O)CC1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone?
The InChIKey is YJBVQZBEMNUPMY-KFWWJZLASA-N. The full InChI is InChI=1S/C16H26N2O2/c19-15-7-3-6-14(15)17-8-10-18(11-9-17)16(20)12-13-4-1-2-5-13/h1,4,13-15,19H,2-3,5-12H2/t13-,14-,15+/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone?
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone has a molecular weight of 278.40 g/mol, XLogP of 1.40, 3 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-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 100844187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).