3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride

C23H33Cl2N3O — CID 120612631

IUPAC3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride
SMILESCC1CCN(C(CNC(=O)CCc2ccccc2N)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C23H31N3O.2ClH/c1-18-13-15-26(16-14-18)22(20-8-3-2-4-9-20)17-25-23(27)12-11-19-7-5-6-10-21(19)24;;/h2-10,18,22H,11-17,24H2,1H3,(H,25,27);2*1H
InChIKeyQUYMRYDOJVGLMB-UHFFFAOYSA-N
MW438.44 g/mol
LogP4.63
Rot. Bonds7

About 3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride

3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride (PubChem CID 120612631) has the molecular formula C23H33Cl2N3O and a molecular weight of 438.44 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride
PubChem CID120612631
Molecular FormulaC23H33Cl2N3O
Molecular Weight438.44 g/mol
Exact Mass437.20
IUPAC Name3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride
SMILESCC1CCN(C(CNC(=O)CCc2ccccc2N)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C23H31N3O.2ClH/c1-18-13-15-26(16-14-18)22(20-8-3-2-4-9-20)17-25-23(27)12-11-19-7-5-6-10-21(19)24;;/h2-10,18,22H,11-17,24H2,1H3,(H,25,27);2*1H
InChIKeyQUYMRYDOJVGLMB-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide
CID 92584194
3-(2-aminophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 120612122
3-(2-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 120612330
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide
CID 46979800
3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride
CID 120612741
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 119860442
3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride
CID 120611894
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 112504356
3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 120613546
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide
CID 60552065
2-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-(oxan-4-yl)acetamide
CID 120798822

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride (CID 120612631) is 3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride is CC1CCN(C(CNC(=O)CCc2ccccc2N)c2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride?
The InChIKey is QUYMRYDOJVGLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O.2ClH/c1-18-13-15-26(16-14-18)22(20-8-3-2-4-9-20)17-25-23(27)12-11-19-7-5-6-10-21(19)24;;/h2-10,18,22H,11-17,24H2,1H3,(H,25,27);2*1H.
What are the key properties of 3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride?
3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride has a molecular weight of 438.44 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride is sourced from PubChem (CID 120612631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).