1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one

C15H22N2O2 — CID 104680027

IUPAC1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
SMILESCOc1ccc(C(N)CN2CCCC(C)C2=O)cc1
InChIInChI=1S/C15H22N2O2/c1-11-4-3-9-17(15(11)18)10-14(16)12-5-7-13(19-2)8-6-12/h5-8,11,14H,3-4,9-10,16H2,1-2H3
InChIKeyPRKYBAIDDKXNDM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds4

About 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one

1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one (PubChem CID 104680027) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
PubChem CID104680027
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
SMILESCOc1ccc(C(N)CN2CCCC(C)C2=O)cc1
InChIInChI=1S/C15H22N2O2/c1-11-4-3-9-17(15(11)18)10-14(16)12-5-7-13(19-2)8-6-12/h5-8,11,14H,3-4,9-10,16H2,1-2H3
InChIKeyPRKYBAIDDKXNDM-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-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

1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one
CID 104679979
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione
CID 61237914
3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834711
1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one
CID 104679974
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 82747780
2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679872
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine
CID 61441376
(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 30814031
2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 16780854
1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine
CID 82291368
1-[2-amino-2-(4-methoxyphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63169686
2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one
CID 62849597

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one?
The IUPAC name of 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one (CID 104680027) is 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one is COc1ccc(C(N)CN2CCCC(C)C2=O)cc1.
What is the InChIKey of 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one?
The InChIKey is PRKYBAIDDKXNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-3-9-17(15(11)18)10-14(16)12-5-7-13(19-2)8-6-12/h5-8,11,14H,3-4,9-10,16H2,1-2H3.
What are the key properties of 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one?
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one is sourced from PubChem (CID 104680027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).