2-(cyclopenten-1-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone

C14H23NO3 — CID 137339427

IUPAC2-(cyclopenten-1-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1=CCCC1)N1CCC(C(O)CO)CC1
InChIInChI=1S/C14H23NO3/c16-10-13(17)12-5-7-15(8-6-12)14(18)9-11-3-1-2-4-11/h3,12-13,16-17H,1-2,4-10H2
InChIKeyRKIPOSDLRTZGNF-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.08
Rot. Bonds4

About 2-(cyclopenten-1-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone

2-(cyclopenten-1-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 137339427) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone
PubChem CID137339427
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-(cyclopenten-1-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1=CCCC1)N1CCC(C(O)CO)CC1
InChIInChI=1S/C14H23NO3/c16-10-13(17)12-5-7-15(8-6-12)14(18)9-11-3-1-2-4-11/h3,12-13,16-17H,1-2,4-10H2
InChIKeyRKIPOSDLRTZGNF-UHFFFAOYSA-N
XLogP1.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(cyclohexen-1-yl)ethanone
CID 63563096
1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 137337548
2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707162
(3S)-1-[2-(cyclohexen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81126342
2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57050703
propan-2-yl 2-[(3S)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]acetate
CID 129398630
2-(cyclohexen-1-yl)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 84592419
2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406333
1-cyclobutyl-2-(cyclopenten-1-yl)ethanone
CID 130802985
N-[1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-2-phenylethyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 126462774
2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537586
1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 137340836

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(cyclopenten-1-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone (CID 137339427) is 2-(cyclopenten-1-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopenten-1-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopenten-1-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone is O=C(CC1=CCCC1)N1CCC(C(O)CO)CC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is RKIPOSDLRTZGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-10-13(17)12-5-7-15(8-6-12)14(18)9-11-3-1-2-4-11/h3,12-13,16-17H,1-2,4-10H2.
What are the key properties of 2-(cyclopenten-1-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone?
2-(cyclopenten-1-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 253.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 137339427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).