3-cyclobutyl-1-(2-ethyl-4-methoxypiperidin-1-yl)propan-1-one

C15H27NO2 — CID 151826922

IUPAC3-cyclobutyl-1-(2-ethyl-4-methoxypiperidin-1-yl)propan-1-one
SMILESCCC1CC(OC)CCN1C(=O)CCC1CCC1
InChIInChI=1S/C15H27NO2/c1-3-13-11-14(18-2)9-10-16(13)15(17)8-7-12-5-4-6-12/h12-14H,3-11H2,1-2H3
InChIKeySDUWPTMMXFNBTI-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.98
Rot. Bonds5

About 3-cyclobutyl-1-(2-ethyl-4-methoxypiperidin-1-yl)propan-1-one

3-cyclobutyl-1-(2-ethyl-4-methoxypiperidin-1-yl)propan-1-one (PubChem CID 151826922) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-cyclobutyl-1-(2-ethyl-4-methoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclobutyl-1-(2-ethyl-4-methoxypiperidin-1-yl)propan-1-one
PubChem CID151826922
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-cyclobutyl-1-(2-ethyl-4-methoxypiperidin-1-yl)propan-1-one
SMILESCCC1CC(OC)CCN1C(=O)CCC1CCC1
InChIInChI=1S/C15H27NO2/c1-3-13-11-14(18-2)9-10-16(13)15(17)8-7-12-5-4-6-12/h12-14H,3-11H2,1-2H3
InChIKeySDUWPTMMXFNBTI-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexyl-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 110197924
(3-Ethylcyclobutyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 139576914
3-Cyclobutyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
CID 150213622
3-Cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
CID 150907819
2-Hexyl-1-[4-(2-methylhexoxy)piperidin-1-yl]nonan-1-one
CID 169938833
3-Cyclobutyl-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 172733967
CID 43611250
CID 43611250
Cyclohexyl-(4-methoxypiperidin-1-yl)methanone
CID 45801048
2-Cyclopentyl-1-(4-methoxypiperidin-1-yl)ethanone
CID 78830231
2-cyclopentyl-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide
CID 99810239
2-cyclopentyl-N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide
CID 99810240
2-cyclopentyl-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide
CID 99810241

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(2-ethyl-4-methoxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-cyclobutyl-1-(2-ethyl-4-methoxypiperidin-1-yl)propan-1-one (CID 151826922) is 3-cyclobutyl-1-(2-ethyl-4-methoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclobutyl-1-(2-ethyl-4-methoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclobutyl-1-(2-ethyl-4-methoxypiperidin-1-yl)propan-1-one is CCC1CC(OC)CCN1C(=O)CCC1CCC1.
What is the InChIKey of 3-cyclobutyl-1-(2-ethyl-4-methoxypiperidin-1-yl)propan-1-one?
The InChIKey is SDUWPTMMXFNBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-13-11-14(18-2)9-10-16(13)15(17)8-7-12-5-4-6-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-cyclobutyl-1-(2-ethyl-4-methoxypiperidin-1-yl)propan-1-one?
3-cyclobutyl-1-(2-ethyl-4-methoxypiperidin-1-yl)propan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(2-ethyl-4-methoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 151826922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).