2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone

C17H30N2O2 — CID 95325711

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone
SMILESCC(C)(C)[C@@H](O)CN1CCN(C(=O)C[C@@H]2C=CCC2)CC1
InChIInChI=1S/C17H30N2O2/c1-17(2,3)15(20)13-18-8-10-19(11-9-18)16(21)12-14-6-4-5-7-14/h4,6,14-15,20H,5,7-13H2,1-3H3/t14-,15+/m1/s1
InChIKeyGRFZWDKOZJBBIA-CABCVRRESA-N
MW294.44 g/mol
LogP1.89
Rot. Bonds4

About 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone

2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone (PubChem CID 95325711) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone
PubChem CID95325711
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone
SMILESCC(C)(C)[C@@H](O)CN1CCN(C(=O)C[C@@H]2C=CCC2)CC1
InChIInChI=1S/C17H30N2O2/c1-17(2,3)15(20)13-18-8-10-19(11-9-18)16(21)12-14-6-4-5-7-14/h4,6,14-15,20H,5,7-13H2,1-3H3/t14-,15+/m1/s1
InChIKeyGRFZWDKOZJBBIA-CABCVRRESA-N
XLogP1.89
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95341116
(2R)-2-[4-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperazin-1-yl]-3-methylbutanenitrile
CID 94825235
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-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
CID 129348527
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
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
1-[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-5-pyrrolidin-1-ylpentan-1-one
CID 95332902
2-cyclopent-2-en-1-yl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727159

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone (CID 95325711) is 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone is CC(C)(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-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone?
The InChIKey is GRFZWDKOZJBBIA-CABCVRRESA-N. The full InChI is InChI=1S/C17H30N2O2/c1-17(2,3)15(20)13-18-8-10-19(11-9-18)16(21)12-14-6-4-5-7-14/h4,6,14-15,20H,5,7-13H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone?
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone has a molecular weight of 294.44 g/mol, XLogP of 1.89, 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-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95325711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).