2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one

C16H24N2O — CID 62031886

IUPAC2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one
SMILESCCC(C(=O)c1ccccc1)N(C)C1CCNCC1
InChIInChI=1S/C16H24N2O/c1-3-15(16(19)13-7-5-4-6-8-13)18(2)14-9-11-17-12-10-14/h4-8,14-15,17H,3,9-12H2,1-2H3
InChIKeyXFYSOPFKAJQUSR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.33
Rot. Bonds5

About 2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one

2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one (PubChem CID 62031886) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one
PubChem CID62031886
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one
SMILESCCC(C(=O)c1ccccc1)N(C)C1CCNCC1
InChIInChI=1S/C16H24N2O/c1-3-15(16(19)13-7-5-4-6-8-13)18(2)14-9-11-17-12-10-14/h4-8,14-15,17H,3,9-12H2,1-2H3
InChIKeyXFYSOPFKAJQUSR-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one
CID 63566462
(2S)-3-hydroxy-2-[methyl(piperidin-4-yl)amino]propanoic acid
CID 121482131
2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 61432396
N,3-dimethyl-2-phenyl-N-piperidin-4-ylpentanamide
CID 43602183
1-phenyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62031069
1-phenyl-2-piperidin-4-yl-2-pyrrolidin-3-ylethanone
CID 174253802
N-ethyl-2-hydroxy-2-phenyl-N-piperidin-4-ylacetamide
CID 60806916
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
N-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide
CID 119443079
1-phenyl-2-(piperidin-4-ylmethylsulfonyl)propan-1-one
CID 82182034
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
N-methyl-3-phenyl-N-piperidin-4-ylprop-2-ynamide
CID 43602137

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one?
The IUPAC name of 2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one (CID 62031886) is 2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one.
What is the SMILES notation for 2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one?
The canonical SMILES for 2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one is CCC(C(=O)c1ccccc1)N(C)C1CCNCC1.
What is the InChIKey of 2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one?
The InChIKey is XFYSOPFKAJQUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-15(16(19)13-7-5-4-6-8-13)18(2)14-9-11-17-12-10-14/h4-8,14-15,17H,3,9-12H2,1-2H3.
What are the key properties of 2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one?
2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one is sourced from PubChem (CID 62031886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).