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

C23H33Cl2N3O — CID 119953020

IUPAC3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
SMILESCC1CCCCN1Cc1ccc(CNC(=O)CC(N)c2ccccc2)cc1.Cl.Cl
InChIInChI=1S/C23H31N3O.2ClH/c1-18-7-5-6-14-26(18)17-20-12-10-19(11-13-20)16-25-23(27)15-22(24)21-8-3-2-4-9-21;;/h2-4,8-13,18,22H,5-7,14-17,24H2,1H3,(H,25,27);2*1H
InChIKeyNCJJOFJDCYNHMZ-UHFFFAOYSA-N
MW438.44 g/mol
LogP4.61
Rot. Bonds7

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

3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119953020) has the molecular formula C23H33Cl2N3O and a molecular weight of 438.44 g/mol. Its IUPAC name is 3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119953020
Molecular FormulaC23H33Cl2N3O
Molecular Weight438.44 g/mol
Exact Mass437.20
IUPAC Name3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
SMILESCC1CCCCN1Cc1ccc(CNC(=O)CC(N)c2ccccc2)cc1.Cl.Cl
InChIInChI=1S/C23H31N3O.2ClH/c1-18-7-5-6-14-26(18)17-20-12-10-19(11-13-20)16-25-23(27)15-22(24)21-8-3-2-4-9-21;;/h2-4,8-13,18,22H,5-7,14-17,24H2,1H3,(H,25,27);2*1H
InChIKeyNCJJOFJDCYNHMZ-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845230
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide
CID 55708491
3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide
CID 119844935
3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide
CID 119949149
3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
2-(3-methoxyphenyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961567
2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 46476029
2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845308
4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564537
3-(4-methoxyphenoxy)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 47035396

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride (CID 119953020) is 3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride is CC1CCCCN1Cc1ccc(CNC(=O)CC(N)c2ccccc2)cc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is NCJJOFJDCYNHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O.2ClH/c1-18-7-5-6-14-26(18)17-20-12-10-19(11-13-20)16-25-23(27)15-22(24)21-8-3-2-4-9-21;;/h2-4,8-13,18,22H,5-7,14-17,24H2,1H3,(H,25,27);2*1H.
What are the key properties of 3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride?
3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 438.44 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119953020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).