2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone

C19H30N2O3 — CID 3226633

IUPAC2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCOc1ccc(CCNCC(=O)N2C(C)CCCC2C)cc1OC
InChIInChI=1S/C19H30N2O3/c1-14-6-5-7-15(2)21(14)19(22)13-20-11-10-16-8-9-17(23-3)18(12-16)24-4/h8-9,12,14-15,20H,5-7,10-11,13H2,1-4H3
InChIKeyYXWCDNQVMSKPHJ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.63
Rot. Bonds7

About 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone

2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 3226633) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID3226633
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCOc1ccc(CCNCC(=O)N2C(C)CCCC2C)cc1OC
InChIInChI=1S/C19H30N2O3/c1-14-6-5-7-15(2)21(14)19(22)13-20-11-10-16-8-9-17(23-3)18(12-16)24-4/h8-9,12,14-15,20H,5-7,10-11,13H2,1-4H3
InChIKeyYXWCDNQVMSKPHJ-UHFFFAOYSA-N
XLogP2.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone 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-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109002692
2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 109002750
N-[3-(3,4-dimethoxyphenyl)propyl]-2,5-dimethylpyrrolidine-1-carboxamide
CID 136514338
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 8871443
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone
CID 1459332
tert-butyl 2-[2-(3,4-dimethoxyphenyl)ethylamino]acetate
CID 14036483
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclopentan-1-amine
CID 65046529
2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide
CID 94811357
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclohexan-1-amine;oxalic acid
CID 171324459
2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide
CID 94811360
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 4550942
2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2-methoxyphenyl)ethanone
CID 70619100

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone (CID 3226633) is 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone is COc1ccc(CCNCC(=O)N2C(C)CCCC2C)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is YXWCDNQVMSKPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14-6-5-7-15(2)21(14)19(22)13-20-11-10-16-8-9-17(23-3)18(12-16)24-4/h8-9,12,14-15,20H,5-7,10-11,13H2,1-4H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 334.46 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3226633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).