3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride

C22H31Cl2N3O — CID 120612982

IUPAC3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride
SMILESCC1CC(NC(=O)CCc2ccccc2N)CCN1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C22H29N3O.2ClH/c1-17-15-20(13-14-25(17)16-18-7-3-2-4-8-18)24-22(26)12-11-19-9-5-6-10-21(19)23;;/h2-10,17,20H,11-16,23H2,1H3,(H,24,26);2*1H
InChIKeyQPINTEJAGXHDRK-UHFFFAOYSA-N
MW424.42 g/mol
LogP4.21
Rot. Bonds6

About 3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride

3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride (PubChem CID 120612982) has the molecular formula C22H31Cl2N3O and a molecular weight of 424.42 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride
PubChem CID120612982
Molecular FormulaC22H31Cl2N3O
Molecular Weight424.42 g/mol
Exact Mass423.18
IUPAC Name3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride
SMILESCC1CC(NC(=O)CCc2ccccc2N)CCN1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C22H29N3O.2ClH/c1-17-15-20(13-14-25(17)16-18-7-3-2-4-8-18)24-22(26)12-11-19-9-5-6-10-21(19)23;;/h2-10,17,20H,11-16,23H2,1H3,(H,24,26);2*1H
InChIKeyQPINTEJAGXHDRK-UHFFFAOYSA-N
XLogP4.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;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

2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide
CID 124692107
N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide
CID 165351593
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
N-(1-benzyl-2-methylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 71860677
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612227
N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide
CID 131167223
3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide
CID 124652969
N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide
CID 166228361
3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 120608479
N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 86813309
1-amino-3-(1-benzyl-2-methylpiperidin-4-yl)thiourea
CID 130834689

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride (CID 120612982) is 3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride is CC1CC(NC(=O)CCc2ccccc2N)CCN1Cc1ccccc1.Cl.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride?
The InChIKey is QPINTEJAGXHDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O.2ClH/c1-17-15-20(13-14-25(17)16-18-7-3-2-4-8-18)24-22(26)12-11-19-9-5-6-10-21(19)23;;/h2-10,17,20H,11-16,23H2,1H3,(H,24,26);2*1H.
What are the key properties of 3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride?
3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride has a molecular weight of 424.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride is sourced from PubChem (CID 120612982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).