1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one

C20H32N2O2 — CID 86976500

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one
SMILESCCOc1ccc(CN(C)C(C)C(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C20H32N2O2/c1-6-24-19-12-10-18(11-13-19)14-21(5)17(4)20(23)22-15(2)8-7-9-16(22)3/h10-13,15-17H,6-9,14H2,1-5H3
InChIKeyBCHCMGRLWDYYGH-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.70
Rot. Bonds6

About 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one

1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one (PubChem CID 86976500) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one
PubChem CID86976500
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one
SMILESCCOc1ccc(CN(C)C(C)C(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C20H32N2O2/c1-6-24-19-12-10-18(11-13-19)14-21(5)17(4)20(23)22-15(2)8-7-9-16(22)3/h10-13,15-17H,6-9,14H2,1-5H3
InChIKeyBCHCMGRLWDYYGH-UHFFFAOYSA-N
XLogP3.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-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

2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 78786280
methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8695096
N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78815360
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366251
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 47014126
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 9494892
(2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494913
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
N-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 46823044

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one (CID 86976500) is 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one is CCOc1ccc(CN(C)C(C)C(=O)N2C(C)CCCC2C)cc1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one?
The InChIKey is BCHCMGRLWDYYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-6-24-19-12-10-18(11-13-19)14-21(5)17(4)20(23)22-15(2)8-7-9-16(22)3/h10-13,15-17H,6-9,14H2,1-5H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one?
1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one has a molecular weight of 332.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one is sourced from PubChem (CID 86976500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).