1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one

C17H32N2O — CID 83999978

IUPAC1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCCCC1CC(NC2CCCC2)CN(C(=O)C(C)C)C1
InChIInChI=1S/C17H32N2O/c1-4-7-14-10-16(18-15-8-5-6-9-15)12-19(11-14)17(20)13(2)3/h13-16,18H,4-12H2,1-3H3
InChIKeyVGAQLPYRJXTPGI-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.19
Rot. Bonds5

About 1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one

1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 83999978) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
PubChem CID83999978
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCCCC1CC(NC2CCCC2)CN(C(=O)C(C)C)C1
InChIInChI=1S/C17H32N2O/c1-4-7-14-10-16(18-15-8-5-6-9-15)12-19(11-14)17(20)13(2)3/h13-16,18H,4-12H2,1-3H3
InChIKeyVGAQLPYRJXTPGI-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83997903
1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83990429
1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999267
1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83996520
1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 83999976
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-(cyclohexylamino)piperidin-1-yl]ethanone
CID 83999202
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one
CID 112541312
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one
CID 83999243
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 83999929
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]ethanone
CID 83999907

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one (CID 83999978) is 1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one is CCCC1CC(NC2CCCC2)CN(C(=O)C(C)C)C1.
What is the InChIKey of 1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is VGAQLPYRJXTPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-7-14-10-16(18-15-8-5-6-9-15)12-19(11-14)17(20)13(2)3/h13-16,18H,4-12H2,1-3H3.
What are the key properties of 1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 280.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 83999978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).