3-ethyl-1-(2-oxopentyl)piperidin-4-one

C12H21NO2 — CID 114509766

IUPAC3-ethyl-1-(2-oxopentyl)piperidin-4-one
SMILESCCCC(=O)CN1CCC(=O)C(CC)C1
InChIInChI=1S/C12H21NO2/c1-3-5-11(14)9-13-7-6-12(15)10(4-2)8-13/h10H,3-9H2,1-2H3
InChIKeyIDLXDQQUUCGPKW-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.66
Rot. Bonds5

About 3-ethyl-1-(2-oxopentyl)piperidin-4-one

3-ethyl-1-(2-oxopentyl)piperidin-4-one (PubChem CID 114509766) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-ethyl-1-(2-oxopentyl)piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(2-oxopentyl)piperidin-4-one
PubChem CID114509766
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-ethyl-1-(2-oxopentyl)piperidin-4-one
SMILESCCCC(=O)CN1CCC(=O)C(CC)C1
InChIInChI=1S/C12H21NO2/c1-3-5-11(14)9-13-7-6-12(15)10(4-2)8-13/h10H,3-9H2,1-2H3
InChIKeyIDLXDQQUUCGPKW-UHFFFAOYSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide
CID 114508729
methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
CID 114509007
3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one
CID 114509764
3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid
CID 114509620
butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
CID 114508947
2-(3-ethyl-4-oxopiperidin-1-yl)-N-pentan-3-ylacetamide
CID 114509023
3-ethyl-1-(2-hydroxyethyl)piperidin-4-one
CID 114508617
N-cyclopentyl-2-(3-ethyl-4-oxopiperidin-1-yl)acetamide
CID 114508966
3-ethyl-1-(2-hydroxybutyl)piperidin-4-one
CID 114508808
3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 114509649
3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one
CID 114508829
(3R)-3-ethyl-1-(2-methoxyethyl)piperidin-4-one
CID 129380797

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-oxopentyl)piperidin-4-one?
The IUPAC name of 3-ethyl-1-(2-oxopentyl)piperidin-4-one (CID 114509766) is 3-ethyl-1-(2-oxopentyl)piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-(2-oxopentyl)piperidin-4-one?
The canonical SMILES for 3-ethyl-1-(2-oxopentyl)piperidin-4-one is CCCC(=O)CN1CCC(=O)C(CC)C1.
What is the InChIKey of 3-ethyl-1-(2-oxopentyl)piperidin-4-one?
The InChIKey is IDLXDQQUUCGPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-5-11(14)9-13-7-6-12(15)10(4-2)8-13/h10H,3-9H2,1-2H3.
What are the key properties of 3-ethyl-1-(2-oxopentyl)piperidin-4-one?
3-ethyl-1-(2-oxopentyl)piperidin-4-one has a molecular weight of 211.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-oxopentyl)piperidin-4-one is sourced from PubChem (CID 114509766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).