3-cyclobutyl-1-(2-ethylpiperidin-1-yl)propan-1-one

C14H25NO — CID 172733967

IUPAC3-cyclobutyl-1-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCCCN1C(=O)CCC1CCC1
InChIInChI=1S/C14H25NO/c1-2-13-8-3-4-11-15(13)14(16)10-9-12-6-5-7-12/h12-13H,2-11H2,1H3
InChIKeyIEGFJSIQIFFGFC-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.36
Rot. Bonds4

About 3-cyclobutyl-1-(2-ethylpiperidin-1-yl)propan-1-one

3-cyclobutyl-1-(2-ethylpiperidin-1-yl)propan-1-one (PubChem CID 172733967) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-cyclobutyl-1-(2-ethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclobutyl-1-(2-ethylpiperidin-1-yl)propan-1-one
PubChem CID172733967
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-cyclobutyl-1-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCCCN1C(=O)CCC1CCC1
InChIInChI=1S/C14H25NO/c1-2-13-8-3-4-11-15(13)14(16)10-9-12-6-5-7-12/h12-13H,2-11H2,1H3
InChIKeyIEGFJSIQIFFGFC-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 1-(cyclohexylcarbonyl)-2,6-dimethyl-
CID 199799
Cyclohexyl(2-methylpiperidin-1-yl)methanone
CID 558510
Cyclohexanecarboxamide, N,N-diethyl-
CID 94872
N,N-Diethylcyclohexanepropanamide
CID 95064
Cyclohexanecarboxamide, N,N-dipropyl-
CID 152793
Piperidine, 1-(2-propylvaleryl)-
CID 201026
Piperidine, 1-(cyclohexylcarbonyl)-3-methyl-
CID 2915080
1-Cyclohexylcarbonyl-2-ethylpiperidine
CID 2915910
N,N-di-i-propyl-2-ethylhexanamide
CID 559438
Piperidine, 1-(cyclohexylcarbonyl)-
CID 12760854
Cyclohexanecarboxamide, N,N-dibutyl-
CID 533209
Valeramide, N,N-diisopropyl-2-propyl-
CID 200759

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(2-ethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-cyclobutyl-1-(2-ethylpiperidin-1-yl)propan-1-one (CID 172733967) is 3-cyclobutyl-1-(2-ethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclobutyl-1-(2-ethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclobutyl-1-(2-ethylpiperidin-1-yl)propan-1-one is CCC1CCCCN1C(=O)CCC1CCC1.
What is the InChIKey of 3-cyclobutyl-1-(2-ethylpiperidin-1-yl)propan-1-one?
The InChIKey is IEGFJSIQIFFGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-13-8-3-4-11-15(13)14(16)10-9-12-6-5-7-12/h12-13H,2-11H2,1H3.
What are the key properties of 3-cyclobutyl-1-(2-ethylpiperidin-1-yl)propan-1-one?
3-cyclobutyl-1-(2-ethylpiperidin-1-yl)propan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(2-ethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 172733967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).