1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one

C15H30N2O — CID 83991039

IUPAC1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one
SMILESCCCNC1CC(CC)CN(C(=O)CC(C)C)C1
InChIInChI=1S/C15H30N2O/c1-5-7-16-14-9-13(6-2)10-17(11-14)15(18)8-12(3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyIEBLBGGBNKXVMP-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.66
Rot. Bonds6

About 1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one

1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 83991039) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one
PubChem CID83991039
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one
SMILESCCCNC1CC(CC)CN(C(=O)CC(C)C)C1
InChIInChI=1S/C15H30N2O/c1-5-7-16-14-9-13(6-2)10-17(11-14)15(18)8-12(3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyIEBLBGGBNKXVMP-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-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-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one
CID 112541315
1-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 83995107
tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate
CID 83995714
1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989767
1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one
CID 83992307
tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate
CID 112544520
1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one
CID 83995783
N-(1-butanoyl-5-ethylpiperidin-3-yl)acetamide
CID 112541827
ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate
CID 83996099
1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one
CID 83994409
N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542286
1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83992339

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one (CID 83991039) is 1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one is CCCNC1CC(CC)CN(C(=O)CC(C)C)C1.
What is the InChIKey of 1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is IEBLBGGBNKXVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-7-16-14-9-13(6-2)10-17(11-14)15(18)8-12(3)4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one?
1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 83991039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).