3-[(3-ethoxyphenyl)methylamino]piperidin-2-one

C14H20N2O2 — CID 62092858

IUPAC3-[(3-ethoxyphenyl)methylamino]piperidin-2-one
SMILESCCOc1cccc(CNC2CCCNC2=O)c1
InChIInChI=1S/C14H20N2O2/c1-2-18-12-6-3-5-11(9-12)10-16-13-7-4-8-15-14(13)17/h3,5-6,9,13,16H,2,4,7-8,10H2,1H3,(H,15,17)
InChIKeyAVEPUSUAIORGBW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.45
Rot. Bonds5

About 3-[(3-ethoxyphenyl)methylamino]piperidin-2-one

3-[(3-ethoxyphenyl)methylamino]piperidin-2-one (PubChem CID 62092858) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(3-ethoxyphenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(3-ethoxyphenyl)methylamino]piperidin-2-one
PubChem CID62092858
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[(3-ethoxyphenyl)methylamino]piperidin-2-one
SMILESCCOc1cccc(CNC2CCCNC2=O)c1
InChIInChI=1S/C14H20N2O2/c1-2-18-12-6-3-5-11(9-12)10-16-13-7-4-8-15-14(13)17/h3,5-6,9,13,16H,2,4,7-8,10H2,1H3,(H,15,17)
InChIKeyAVEPUSUAIORGBW-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-ethoxyphenyl)methylamino]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

(3S)-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]azepan-2-one
CID 94531015
3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093209
3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one
CID 55033629
3-[2-(3-bromophenoxy)ethylamino]piperidin-2-one
CID 55033106
3-[[3-(trifluoromethyl)phenyl]methylamino]azepan-2-one
CID 43199156
N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 77030094
3-[(2-ethylphenyl)methylamino]piperidin-2-one
CID 62392646
3-[(2-methoxy-4-pyridinyl)methylamino]azepan-2-one
CID 62989736
(3R)-3-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]azepan-2-one
CID 1059014
3-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]azepan-2-one
CID 3938018
N-[(3-ethoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 60873517
3-[2-[(2-oxopiperidin-3-yl)amino]ethoxy]benzoic acid
CID 103248577

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyphenyl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(3-ethoxyphenyl)methylamino]piperidin-2-one (CID 62092858) is 3-[(3-ethoxyphenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(3-ethoxyphenyl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(3-ethoxyphenyl)methylamino]piperidin-2-one is CCOc1cccc(CNC2CCCNC2=O)c1.
What is the InChIKey of 3-[(3-ethoxyphenyl)methylamino]piperidin-2-one?
The InChIKey is AVEPUSUAIORGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-12-6-3-5-11(9-12)10-16-13-7-4-8-15-14(13)17/h3,5-6,9,13,16H,2,4,7-8,10H2,1H3,(H,15,17).
What are the key properties of 3-[(3-ethoxyphenyl)methylamino]piperidin-2-one?
3-[(3-ethoxyphenyl)methylamino]piperidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyphenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 62092858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).