(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride

C17H29Cl2N3O — CID 119845332

IUPAC(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
SMILESCC1CCCCN1Cc1ccccc1CNC(=O)[C@@H](C)N.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-13-7-5-6-10-20(13)12-16-9-4-3-8-15(16)11-19-17(21)14(2)18;;/h3-4,8-9,13-14H,5-7,10-12,18H2,1-2H3,(H,19,21);2*1H/t13?,14-;;/m1../s1
InChIKeyKAHYXCAHIVWQNW-RNPIIYMOSA-N
MW362.35 g/mol
LogP2.87
Rot. Bonds5

About (2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride

(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride (PubChem CID 119845332) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is (2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
PubChem CID119845332
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
SMILESCC1CCCCN1Cc1ccccc1CNC(=O)[C@@H](C)N.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-13-7-5-6-10-20(13)12-16-9-4-3-8-15(16)11-19-17(21)14(2)18;;/h3-4,8-9,13-14H,5-7,10-12,18H2,1-2H3,(H,19,21);2*1H/t13?,14-;;/m1../s1
InChIKeyKAHYXCAHIVWQNW-RNPIIYMOSA-N
XLogP2.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]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

4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564537
2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845340
2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845308
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
(4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97092356
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877885
1-(2,2-dimethylpropanoyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46470618
1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 60584154
2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylguanidine
CID 111047170
2-(3-methoxyphenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961658
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyrazol-1-ylpropanamide
CID 86990869

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride (CID 119845332) is (2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride is CC1CCCCN1Cc1ccccc1CNC(=O)[C@@H](C)N.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride?
The InChIKey is KAHYXCAHIVWQNW-RNPIIYMOSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-13-7-5-6-10-20(13)12-16-9-4-3-8-15(16)11-19-17(21)14(2)18;;/h3-4,8-9,13-14H,5-7,10-12,18H2,1-2H3,(H,19,21);2*1H/t13?,14-;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride?
(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119845332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).