2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride

C23H33Cl2N3O — CID 119845072

IUPAC2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
SMILESCC1CCN(Cc2ccc(CNC(=O)C(N)Cc3ccccc3)cc2)CC1.Cl.Cl
InChIInChI=1S/C23H31N3O.2ClH/c1-18-11-13-26(14-12-18)17-21-9-7-20(8-10-21)16-25-23(27)22(24)15-19-5-3-2-4-6-19;;/h2-10,18,22H,11-17,24H2,1H3,(H,25,27);2*1H
InChIKeyNYECQMXBKQVTSM-UHFFFAOYSA-N
MW438.44 g/mol
LogP3.95
Rot. Bonds7

About 2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride

2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119845072) has the molecular formula C23H33Cl2N3O and a molecular weight of 438.44 g/mol. Its IUPAC name is 2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119845072
Molecular FormulaC23H33Cl2N3O
Molecular Weight438.44 g/mol
Exact Mass437.20
IUPAC Name2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
SMILESCC1CCN(Cc2ccc(CNC(=O)C(N)Cc3ccccc3)cc2)CC1.Cl.Cl
InChIInChI=1S/C23H31N3O.2ClH/c1-18-11-13-26(14-12-18)17-21-9-7-20(8-10-21)16-25-23(27)22(24)15-19-5-3-2-4-6-19;;/h2-10,18,22H,11-17,24H2,1H3,(H,25,27);2*1H
InChIKeyNYECQMXBKQVTSM-UHFFFAOYSA-N
XLogP3.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;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

(2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 78984703
3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 120502841
(2S)-2-amino-3,3-dimethyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 119845096
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119831669
2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide;dihydrochloride
CID 119845000
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231146
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231056
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119885023
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 119844839
(2S)-2-amino-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119836236

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride (CID 119845072) is 2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride is CC1CCN(Cc2ccc(CNC(=O)C(N)Cc3ccccc3)cc2)CC1.Cl.Cl.
What is the InChIKey of 2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is NYECQMXBKQVTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O.2ClH/c1-18-11-13-26(14-12-18)17-21-9-7-20(8-10-21)16-25-23(27)22(24)15-19-5-3-2-4-6-19;;/h2-10,18,22H,11-17,24H2,1H3,(H,25,27);2*1H.
What are the key properties of 2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride?
2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 438.44 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119845072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).