1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one

C15H19NO3 — CID 101320227

IUPAC1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one
SMILES[2H]C([2H])(C(=O)N1CCCCC1=O)C([2H])([2H])c1ccc(OC)cc1
InChIInChI=1S/C15H19NO3/c1-19-13-8-5-12(6-9-13)7-10-15(18)16-11-3-2-4-14(16)17/h5-6,8-9H,2-4,7,10-11H2,1H3/i7D2,10D2
InChIKeyJSQRTBQRPZPFEF-AQVLYMJBSA-N
MW265.35 g/mol
LogP2.17
Rot. Bonds4

About 1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one

1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one (PubChem CID 101320227) has the molecular formula C15H19NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one
PubChem CID101320227
Molecular FormulaC15H19NO3
Molecular Weight265.35 g/mol
Exact Mass265.16
IUPAC Name1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one
SMILES[2H]C([2H])(C(=O)N1CCCCC1=O)C([2H])([2H])c1ccc(OC)cc1
InChIInChI=1S/C15H19NO3/c1-19-13-8-5-12(6-9-13)7-10-15(18)16-11-3-2-4-14(16)17/h5-6,8-9H,2-4,7,10-11H2,1H3/i7D2,10D2
InChIKeyJSQRTBQRPZPFEF-AQVLYMJBSA-N
XLogP2.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one
CID 101318471
1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one
CID 102373052
1-(4-methoxybenzoyl)pyrrolidin-2-one
CID 67930161
1-(2,2-dideuterio-5-phenylpentanoyl)azepan-2-one
CID 102595226
2-(4-methoxyphenyl)-N-pyrrolidin-1-ylacetamide
CID 22146742
1-[(Z)-1-bromo-2-(4-methoxyphenyl)ethenyl]pyrrolidin-2-one
CID 135004969
N-ethyl-N-[(4-methoxyphenyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78865696
1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one
CID 101320219
N-[2-(4-methoxyphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxamide
CID 14441156
1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 33365745
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one
CID 102045392

Frequently Asked Questions

What is the IUPAC name of 1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one?
The IUPAC name of 1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one (CID 101320227) is 1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one.
What is the SMILES notation for 1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one?
The canonical SMILES for 1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one is [2H]C([2H])(C(=O)N1CCCCC1=O)C([2H])([2H])c1ccc(OC)cc1.
What is the InChIKey of 1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one?
The InChIKey is JSQRTBQRPZPFEF-AQVLYMJBSA-N. The full InChI is InChI=1S/C15H19NO3/c1-19-13-8-5-12(6-9-13)7-10-15(18)16-11-3-2-4-14(16)17/h5-6,8-9H,2-4,7,10-11H2,1H3/i7D2,10D2.
What are the key properties of 1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one?
1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one has a molecular weight of 265.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one is sourced from PubChem (CID 101320227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).