1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one

C15H28N2O — CID 83991653

IUPAC1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one
SMILESCCCCC1CC(NC2CC2)CN(C(=O)CC)C1
InChIInChI=1S/C15H28N2O/c1-3-5-6-12-9-14(16-13-7-8-13)11-17(10-12)15(18)4-2/h12-14,16H,3-11H2,1-2H3
InChIKeyJZIKVDOFMWWHIP-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds6

About 1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one

1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one (PubChem CID 83991653) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one
PubChem CID83991653
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one
SMILESCCCCC1CC(NC2CC2)CN(C(=O)CC)C1
InChIInChI=1S/C15H28N2O/c1-3-5-6-12-9-14(16-13-7-8-13)11-17(10-12)15(18)4-2/h12-14,16H,3-11H2,1-2H3
InChIKeyJZIKVDOFMWWHIP-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-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 83999929
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one
CID 83999243
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one
CID 112541312
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone
CID 83999202
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one
CID 112541315
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]ethanone
CID 83991628
1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989768
2-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]acetamide
CID 83991982
1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83999978
ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate
CID 112543863
5-butyl-1-cyclopentyl-N-cyclopropylpiperidin-3-amine
CID 83991758
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]ethanone
CID 83999907

Frequently Asked Questions

What is the IUPAC name of 1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one (CID 83991653) is 1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one is CCCCC1CC(NC2CC2)CN(C(=O)CC)C1.
What is the InChIKey of 1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one?
The InChIKey is JZIKVDOFMWWHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-5-6-12-9-14(16-13-7-8-13)11-17(10-12)15(18)4-2/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one?
1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-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-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 83991653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).