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

C17H32N2O — CID 83997819

IUPAC1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone
SMILESCCCCC1CC(NCC2CCCC2)CN(C(C)=O)C1
InChIInChI=1S/C17H32N2O/c1-3-4-7-16-10-17(13-19(12-16)14(2)20)18-11-15-8-5-6-9-15/h15-18H,3-13H2,1-2H3
InChIKeyZCBYGQDHOCFVPR-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.19
Rot. Bonds6

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

1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone (PubChem CID 83997819) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone
PubChem CID83997819
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone
SMILESCCCCC1CC(NCC2CCCC2)CN(C(C)=O)C1
InChIInChI=1S/C17H32N2O/c1-3-4-7-16-10-17(13-19(12-16)14(2)20)18-11-15-8-5-6-9-15/h15-18H,3-13H2,1-2H3
InChIKeyZCBYGQDHOCFVPR-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone
CID 83999202
3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
CID 83998522
methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate
CID 83997765
1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83997903
1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 83997130
3-(cyclobutylmethylamino)-5-propylpiperidine-1-carboxamide
CID 83997100
5-butyl-1-cyclopentyl-N-(cyclopentylmethyl)piperidin-3-amine
CID 83997977
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]ethanone
CID 83991628
1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone
CID 115908114
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]ethanone
CID 83999907
1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83996520
1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone
CID 83996453

Frequently Asked Questions

What is the IUPAC name of 1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone (CID 83997819) is 1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone is CCCCC1CC(NCC2CCCC2)CN(C(C)=O)C1.
What is the InChIKey of 1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone?
The InChIKey is ZCBYGQDHOCFVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-4-7-16-10-17(13-19(12-16)14(2)20)18-11-15-8-5-6-9-15/h15-18H,3-13H2,1-2H3.
What are the key properties of 1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone?
1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone has a molecular weight of 280.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 83997819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).