1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one

C15H19NO2 — CID 101320219

IUPAC1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one
SMILES[2H]C([2H])(CC(=O)N1CCCCC1=O)Cc1ccccc1
InChIInChI=1S/C15H19NO2/c17-14-10-4-5-12-16(14)15(18)11-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2/i6D2
InChIKeyVWMYFCUYOIXABI-NCYHJHSESA-N
MW247.33 g/mol
LogP2.55
Rot. Bonds4

About 1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one

1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one (PubChem CID 101320219) has the molecular formula C15H19NO2 and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one.

Molecular Properties

Compound Name1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one
PubChem CID101320219
Molecular FormulaC15H19NO2
Molecular Weight247.33 g/mol
Exact Mass247.15
IUPAC Name1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one
SMILES[2H]C([2H])(CC(=O)N1CCCCC1=O)Cc1ccccc1
InChIInChI=1S/C15H19NO2/c17-14-10-4-5-12-16(14)15(18)11-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2/i6D2
InChIKeyVWMYFCUYOIXABI-NCYHJHSESA-N
XLogP2.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dideuterio-5-phenylpentanoyl)azepan-2-one
CID 102595226
1-(2-phenylacetyl)pyrrolidin-2-one
CID 13011419
1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one
CID 101318471
5-phenyl-1-(2-sulfanylideneazepan-1-yl)pentan-1-one
CID 102154946
1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one
CID 102373052
1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione
CID 19994069
2-oxo-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 12884396
N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide
CID 9218984
(3aS,9aR)-4-benzyl-1-(3-phenylpropanoyl)-2,3,3a,6,7,8,9,9a-octahydropyrrolo[3,2-b]azocin-5-one
CID 110136590
1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione
CID 14228168
2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-3-phenylpropanoic acid
CID 60794331
1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one
CID 101320227

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one?
The IUPAC name of 1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one (CID 101320219) is 1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one.
What is the SMILES notation for 1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one?
The canonical SMILES for 1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one is [2H]C([2H])(CC(=O)N1CCCCC1=O)Cc1ccccc1.
What is the InChIKey of 1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one?
The InChIKey is VWMYFCUYOIXABI-NCYHJHSESA-N. The full InChI is InChI=1S/C15H19NO2/c17-14-10-4-5-12-16(14)15(18)11-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2/i6D2.
What are the key properties of 1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one?
1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one has a molecular weight of 247.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one is sourced from PubChem (CID 101320219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).