2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride

C23H33Cl2N3O2 — CID 120669308

IUPAC2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCOc1ccc(C(CNC(=O)C(N)c2ccc(C)cc2)N2CCCCC2)cc1.Cl.Cl
InChIInChI=1S/C23H31N3O2.2ClH/c1-17-6-8-19(9-7-17)22(24)23(27)25-16-21(26-14-4-3-5-15-26)18-10-12-20(28-2)13-11-18;;/h6-13,21-22H,3-5,14-16,24H2,1-2H3,(H,25,27);2*1H
InChIKeyBMFGRHUWEGBERS-UHFFFAOYSA-N
MW454.44 g/mol
LogP4.19
Rot. Bonds7

About 2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride

2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride (PubChem CID 120669308) has the molecular formula C23H33Cl2N3O2 and a molecular weight of 454.44 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
PubChem CID120669308
Molecular FormulaC23H33Cl2N3O2
Molecular Weight454.44 g/mol
Exact Mass453.19
IUPAC Name2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCOc1ccc(C(CNC(=O)C(N)c2ccc(C)cc2)N2CCCCC2)cc1.Cl.Cl
InChIInChI=1S/C23H31N3O2.2ClH/c1-17-6-8-19(9-7-17)22(24)23(27)25-16-21(26-14-4-3-5-15-26)18-10-12-20(28-2)13-11-18;;/h6-13,21-22H,3-5,14-16,24H2,1-2H3,(H,25,27);2*1H
InChIKeyBMFGRHUWEGBERS-UHFFFAOYSA-N
XLogP4.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride 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

N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 120669331
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119829693
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide
CID 25486072
2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 51161543
3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829578
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,2-dimethylpropanamide
CID 51173094
N-[(2R)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 42279228
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 19114549
(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 35341970

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride (CID 120669308) is 2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride is COc1ccc(C(CNC(=O)C(N)c2ccc(C)cc2)N2CCCCC2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The InChIKey is BMFGRHUWEGBERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2.2ClH/c1-17-6-8-19(9-7-17)22(24)23(27)25-16-21(26-14-4-3-5-15-26)18-10-12-20(28-2)13-11-18;;/h6-13,21-22H,3-5,14-16,24H2,1-2H3,(H,25,27);2*1H.
What are the key properties of 2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride has a molecular weight of 454.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride is sourced from PubChem (CID 120669308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).