1-(3-ethoxypiperidin-1-yl)butan-2-one

C11H21NO2 — CID 62040575

IUPAC1-(3-ethoxypiperidin-1-yl)butan-2-one
SMILESCCOC1CCCN(CC(=O)CC)C1
InChIInChI=1S/C11H21NO2/c1-3-10(13)8-12-7-5-6-11(9-12)14-4-2/h11H,3-9H2,1-2H3
InChIKeyPPGKTACXACXTHF-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.47
Rot. Bonds5

About 1-(3-ethoxypiperidin-1-yl)butan-2-one

1-(3-ethoxypiperidin-1-yl)butan-2-one (PubChem CID 62040575) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3-ethoxypiperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name1-(3-ethoxypiperidin-1-yl)butan-2-one
PubChem CID62040575
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3-ethoxypiperidin-1-yl)butan-2-one
SMILESCCOC1CCCN(CC(=O)CC)C1
InChIInChI=1S/C11H21NO2/c1-3-10(13)8-12-7-5-6-11(9-12)14-4-2/h11H,3-9H2,1-2H3
InChIKeyPPGKTACXACXTHF-UHFFFAOYSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethoxypiperidin-1-yl)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one
CID 107507197
1-(3-methylpiperidin-1-yl)butan-2-one
CID 62039923
1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one
CID 107507196
N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103069929
2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid
CID 63916274
1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 65448874
3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal
CID 62277964
cyclobutyl-(3-ethoxypiperidin-1-yl)methanone
CID 46153649
1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine
CID 65010952
2-(cyclopropylamino)-4-(3-ethoxypiperidin-1-yl)butanamide
CID 63053798
1-(3-ethoxypiperidin-1-yl)-2-propylsulfanylethanone
CID 47737118
1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one
CID 130611611

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypiperidin-1-yl)butan-2-one?
The IUPAC name of 1-(3-ethoxypiperidin-1-yl)butan-2-one (CID 62040575) is 1-(3-ethoxypiperidin-1-yl)butan-2-one.
What is the SMILES notation for 1-(3-ethoxypiperidin-1-yl)butan-2-one?
The canonical SMILES for 1-(3-ethoxypiperidin-1-yl)butan-2-one is CCOC1CCCN(CC(=O)CC)C1.
What is the InChIKey of 1-(3-ethoxypiperidin-1-yl)butan-2-one?
The InChIKey is PPGKTACXACXTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-10(13)8-12-7-5-6-11(9-12)14-4-2/h11H,3-9H2,1-2H3.
What are the key properties of 1-(3-ethoxypiperidin-1-yl)butan-2-one?
1-(3-ethoxypiperidin-1-yl)butan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypiperidin-1-yl)butan-2-one is sourced from PubChem (CID 62040575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).