1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone

C17H32N2O — CID 83999202

IUPAC1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone
SMILESCCCCC1CC(NC2CCCCC2)CN(C(C)=O)C1
InChIInChI=1S/C17H32N2O/c1-3-4-8-15-11-17(13-19(12-15)14(2)20)18-16-9-6-5-7-10-16/h15-18H,3-13H2,1-2H3
InChIKeyGBQIXTNNSPWVPK-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.34
Rot. Bonds5

About 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone

1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone (PubChem CID 83999202) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone
PubChem CID83999202
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone
SMILESCCCCC1CC(NC2CCCCC2)CN(C(C)=O)C1
InChIInChI=1S/C17H32N2O/c1-3-4-8-15-11-17(13-19(12-15)14(2)20)18-16-9-6-5-7-10-16/h15-18H,3-13H2,1-2H3
InChIKeyGBQIXTNNSPWVPK-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]ethanone
CID 83999907
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-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone
CID 83997819
methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate
CID 83999906
1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one
CID 83991653
1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999267
1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83999978
2-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]acetamide
CID 83999592
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 83999929
5-butyl-N-cyclohexyl-1-propylpiperidin-3-amine
CID 83999048
1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone
CID 83991645

Frequently Asked Questions

What is the IUPAC name of 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone (CID 83999202) is 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone is CCCCC1CC(NC2CCCCC2)CN(C(C)=O)C1.
What is the InChIKey of 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone?
The InChIKey is GBQIXTNNSPWVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-4-8-15-11-17(13-19(12-15)14(2)20)18-16-9-6-5-7-10-16/h15-18H,3-13H2,1-2H3.
What are the key properties of 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone?
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone has a molecular weight of 280.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 83999202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).