1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one

C16H30N2O — CID 112541315

IUPAC1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one
SMILESCCCC1CC(NC2CC2)CN(C(=O)CC(C)C)C1
InChIInChI=1S/C16H30N2O/c1-4-5-13-9-15(17-14-6-7-14)11-18(10-13)16(19)8-12(2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyWNZOZANHLTTXLF-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds6

About 1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one

1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one (PubChem CID 112541315) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one
PubChem CID112541315
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one
SMILESCCCC1CC(NC2CC2)CN(C(=O)CC(C)C)C1
InChIInChI=1S/C16H30N2O/c1-4-5-13-9-15(17-14-6-7-14)11-18(10-13)16(19)8-12(2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyWNZOZANHLTTXLF-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(cyclopropylamino)-5-propylpiperidin-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]butan-1-one
CID 112541312
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]ethanone
CID 83991628
1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83999978
1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one
CID 83991653
5-(cyclopropylamino)-1-(3-methylbutanoyl)piperidine-3-carboxylic acid
CID 83991679
tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate
CID 112544520
1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83991039
1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999267
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one
CID 83999243
1-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 83995107
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 83999929
N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542286

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one (CID 112541315) is 1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one is CCCC1CC(NC2CC2)CN(C(=O)CC(C)C)C1.
What is the InChIKey of 1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is WNZOZANHLTTXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-5-13-9-15(17-14-6-7-14)11-18(10-13)16(19)8-12(2)3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one?
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 112541315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).