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

C16H24N2O — CID 129015944

IUPAC1-[1-(methylamino)-4-phenylbutan-2-yl]piperidin-2-one
SMILESCNCC(CCc1ccccc1)N1CCCCC1=O
InChIInChI=1S/C16H24N2O/c1-17-13-15(18-12-6-5-9-16(18)19)11-10-14-7-3-2-4-8-14/h2-4,7-8,15,17H,5-6,9-13H2,1H3
InChIKeySGJGJFBPVVGTJQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.22
Rot. Bonds6

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

1-[1-(methylamino)-4-phenylbutan-2-yl]piperidin-2-one (PubChem CID 129015944) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[1-(methylamino)-4-phenylbutan-2-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-(methylamino)-4-phenylbutan-2-yl]piperidin-2-one
PubChem CID129015944
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[1-(methylamino)-4-phenylbutan-2-yl]piperidin-2-one
SMILESCNCC(CCc1ccccc1)N1CCCCC1=O
InChIInChI=1S/C16H24N2O/c1-17-13-15(18-12-6-5-9-16(18)19)11-10-14-7-3-2-4-8-14/h2-4,7-8,15,17H,5-6,9-13H2,1H3
InChIKeySGJGJFBPVVGTJQ-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide
CID 51100996
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one
CID 107861552
(2S)-N,2-dimethyl-4-phenylbutan-1-amine
CID 134172295
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56577878
benzyl (2S)-3-methyl-2-(2-oxopiperidin-1-yl)butanoate
CID 130457082
1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one
CID 69084296
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505972
N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111461259
N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56506504
N-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine
CID 63249483

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methylamino)-4-phenylbutan-2-yl]piperidin-2-one?
The IUPAC name of 1-[1-(methylamino)-4-phenylbutan-2-yl]piperidin-2-one (CID 129015944) is 1-[1-(methylamino)-4-phenylbutan-2-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-(methylamino)-4-phenylbutan-2-yl]piperidin-2-one?
The canonical SMILES for 1-[1-(methylamino)-4-phenylbutan-2-yl]piperidin-2-one is CNCC(CCc1ccccc1)N1CCCCC1=O.
What is the InChIKey of 1-[1-(methylamino)-4-phenylbutan-2-yl]piperidin-2-one?
The InChIKey is SGJGJFBPVVGTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-17-13-15(18-12-6-5-9-16(18)19)11-10-14-7-3-2-4-8-14/h2-4,7-8,15,17H,5-6,9-13H2,1H3.
What are the key properties of 1-[1-(methylamino)-4-phenylbutan-2-yl]piperidin-2-one?
1-[1-(methylamino)-4-phenylbutan-2-yl]piperidin-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylamino)-4-phenylbutan-2-yl]piperidin-2-one is sourced from PubChem (CID 129015944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).