5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one

C13H18N2O2 — CID 83540319

IUPAC5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one
SMILESCOc1ccc(C2CC(=O)N(C)CC2N)cc1
InChIInChI=1S/C13H18N2O2/c1-15-8-12(14)11(7-13(15)16)9-3-5-10(17-2)6-4-9/h3-6,11-12H,7-8,14H2,1-2H3
InChIKeyUMVIHTVGJRENNE-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.97
Rot. Bonds2

About 5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one

5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one (PubChem CID 83540319) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one
PubChem CID83540319
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one
SMILESCOc1ccc(C2CC(=O)N(C)CC2N)cc1
InChIInChI=1S/C13H18N2O2/c1-15-8-12(14)11(7-13(15)16)9-3-5-10(17-2)6-4-9/h3-6,11-12H,7-8,14H2,1-2H3
InChIKeyUMVIHTVGJRENNE-UHFFFAOYSA-N
XLogP0.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-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

4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 18361933
2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one
CID 14047057
ethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate
CID 59066500
(3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-amine
CID 170701447
[(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
CID 99987286
3-(4-methoxyphenyl)-1-methylazetidine
CID 134399978
tert-butyl (3S,4R)-3-amino-4-(4-methoxyphenyl)piperidine-1-carboxylate
CID 39872159
1-(4-bromophenyl)-3-[(4S)-5-(4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea
CID 139475898
(3S,4R)-1-(4-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 90406705
4-(4-methoxyphenyl)-1,3-dimethylimidazolidin-2-one
CID 116982870
1-[2-[(3R,4S)-3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]azepan-2-one
CID 72866406
(2S)-2-(4-methoxyphenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 96529890

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one?
The IUPAC name of 5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one (CID 83540319) is 5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one?
The canonical SMILES for 5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one is COc1ccc(C2CC(=O)N(C)CC2N)cc1.
What is the InChIKey of 5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one?
The InChIKey is UMVIHTVGJRENNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15-8-12(14)11(7-13(15)16)9-3-5-10(17-2)6-4-9/h3-6,11-12H,7-8,14H2,1-2H3.
What are the key properties of 5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one?
5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one is sourced from PubChem (CID 83540319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).