3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one

C15H26N2O2 — CID 104931309

IUPAC3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one
SMILESCCC1CN(C(=O)CCC2CCCC2)CCC1=NO
InChIInChI=1S/C15H26N2O2/c1-2-13-11-17(10-9-14(13)16-19)15(18)8-7-12-5-3-4-6-12/h12-13,19H,2-11H2,1H3
InChIKeyQAQAIWUVDIMMKE-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.05
Rot. Bonds4

About 3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one

3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one (PubChem CID 104931309) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one
PubChem CID104931309
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one
SMILESCCC1CN(C(=O)CCC2CCCC2)CCC1=NO
InChIInChI=1S/C15H26N2O2/c1-2-13-11-17(10-9-14(13)16-19)15(18)8-7-12-5-3-4-6-12/h12-13,19H,2-11H2,1H3
InChIKeyQAQAIWUVDIMMKE-UHFFFAOYSA-N
XLogP3.05
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one
CID 104930829
1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 114509173
1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one
CID 104930760
2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone
CID 114509312
3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one
CID 121187051
[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone
CID 114509248
(4-bromophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509319
3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81424634
phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate
CID 114509409
2,3-dihydro-1H-inden-2-yl-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 106892974
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one
CID 104930793

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one (CID 104931309) is 3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one is CCC1CN(C(=O)CCC2CCCC2)CCC1=NO.
What is the InChIKey of 3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one?
The InChIKey is QAQAIWUVDIMMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-13-11-17(10-9-14(13)16-19)15(18)8-7-12-5-3-4-6-12/h12-13,19H,2-11H2,1H3.
What are the key properties of 3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one?
3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one has a molecular weight of 266.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one is sourced from PubChem (CID 104931309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).