cyclobutyl-(3-ethoxypiperidin-1-yl)methanone

C12H21NO2 — CID 46153649

IUPACcyclobutyl-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)C2CCC2)C1
InChIInChI=1S/C12H21NO2/c1-2-15-11-7-4-8-13(9-11)12(14)10-5-3-6-10/h10-11H,2-9H2,1H3
InChIKeyVYCUEZQASZEBTN-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.81
Rot. Bonds3

About cyclobutyl-(3-ethoxypiperidin-1-yl)methanone

cyclobutyl-(3-ethoxypiperidin-1-yl)methanone (PubChem CID 46153649) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is cyclobutyl-(3-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(3-ethoxypiperidin-1-yl)methanone
PubChem CID46153649
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namecyclobutyl-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)C2CCC2)C1
InChIInChI=1S/C12H21NO2/c1-2-15-11-7-4-8-13(9-11)12(14)10-5-3-6-10/h10-11H,2-9H2,1H3
InChIKeyVYCUEZQASZEBTN-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3-methylcyclohexyl)-(3-ethoxypiperidin-1-yl)methanone
CID 62783104
1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one
CID 130611611
cyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 42844209
(3-aminocyclohexyl)-(3-propoxypiperidin-1-yl)methanone
CID 55135879
1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one
CID 107026169
3-(3-ethoxypiperidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821760
2-ethoxy-1-(3-ethoxypiperidin-1-yl)propan-1-one
CID 86843747
N-cyclohexyl-3-ethoxypiperidine-1-carboxamide
CID 115592808
2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 54990051
4-chloro-1-(3-ethoxypiperidin-1-yl)butan-1-one
CID 63308584
1-(3-ethoxypiperidin-1-yl)-2-propylsulfanylethanone
CID 47737118
cyclohexyl-(3-ethoxypiperidin-1-yl)methanimine
CID 63177785

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(3-ethoxypiperidin-1-yl)methanone?
The IUPAC name of cyclobutyl-(3-ethoxypiperidin-1-yl)methanone (CID 46153649) is cyclobutyl-(3-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for cyclobutyl-(3-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for cyclobutyl-(3-ethoxypiperidin-1-yl)methanone is CCOC1CCCN(C(=O)C2CCC2)C1.
What is the InChIKey of cyclobutyl-(3-ethoxypiperidin-1-yl)methanone?
The InChIKey is VYCUEZQASZEBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-15-11-7-4-8-13(9-11)12(14)10-5-3-6-10/h10-11H,2-9H2,1H3.
What are the key properties of cyclobutyl-(3-ethoxypiperidin-1-yl)methanone?
cyclobutyl-(3-ethoxypiperidin-1-yl)methanone has a molecular weight of 211.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(3-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 46153649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).