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

C15H28N2O — CID 112541312

IUPAC1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(CCC)CC(NC2CC2)C1
InChIInChI=1S/C15H28N2O/c1-3-5-12-9-14(16-13-7-8-13)11-17(10-12)15(18)6-4-2/h12-14,16H,3-11H2,1-2H3
InChIKeyCOVLNVCMGRLOLW-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds6

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

1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one (PubChem CID 112541312) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one
PubChem CID112541312
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(CCC)CC(NC2CC2)C1
InChIInChI=1S/C15H28N2O/c1-3-5-12-9-14(16-13-7-8-13)11-17(10-12)15(18)6-4-2/h12-14,16H,3-11H2,1-2H3
InChIKeyCOVLNVCMGRLOLW-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one
CID 83999243
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]ethanone
CID 83991628
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one
CID 112541315
1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one
CID 83991653
1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989768
1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83999978
1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989767
1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999267
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 83999929
N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide
CID 112542725
1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one
CID 83994409
1-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83995101

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one (CID 112541312) is 1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one is CCCC(=O)N1CC(CCC)CC(NC2CC2)C1.
What is the InChIKey of 1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one?
The InChIKey is COVLNVCMGRLOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-5-12-9-14(16-13-7-8-13)11-17(10-12)15(18)6-4-2/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one?
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.56, 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]butan-1-one is sourced from PubChem (CID 112541312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).