(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride

C22H31Cl2N3O — CID 119878253

IUPAC(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
SMILESCN(C(=O)[C@@H](N)Cc1ccccc1)C1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C22H29N3O.2ClH/c1-24(22(26)21(23)16-18-8-4-2-5-9-18)20-12-14-25(15-13-20)17-19-10-6-3-7-11-19;;/h2-11,20-21H,12-17,23H2,1H3;2*1H/t21-;;/m0../s1
InChIKeyJPIGFOGTHMIUKG-FGJQBABTSA-N
MW424.42 g/mol
LogP3.52
Rot. Bonds6

About (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride

(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride (PubChem CID 119878253) has the molecular formula C22H31Cl2N3O and a molecular weight of 424.42 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
PubChem CID119878253
Molecular FormulaC22H31Cl2N3O
Molecular Weight424.42 g/mol
Exact Mass423.18
IUPAC Name(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
SMILESCN(C(=O)[C@@H](N)Cc1ccccc1)C1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C22H29N3O.2ClH/c1-24(22(26)21(23)16-18-8-4-2-5-9-18)20-12-14-25(15-13-20)17-19-10-6-3-7-11-19;;/h2-11,20-21H,12-17,23H2,1H3;2*1H/t21-;;/m0../s1
InChIKeyJPIGFOGTHMIUKG-FGJQBABTSA-N
XLogP3.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
(2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842325
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124693760
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
CID 120565396
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977
N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide
CID 136525412
(2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61155702
2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119845072
2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119831669
1-amino-N-(1-benzylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide
CID 119878264

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride (CID 119878253) is (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride is CN(C(=O)[C@@H](N)Cc1ccccc1)C1CCN(Cc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride?
The InChIKey is JPIGFOGTHMIUKG-FGJQBABTSA-N. The full InChI is InChI=1S/C22H29N3O.2ClH/c1-24(22(26)21(23)16-18-8-4-2-5-9-18)20-12-14-25(15-13-20)17-19-10-6-3-7-11-19;;/h2-11,20-21H,12-17,23H2,1H3;2*1H/t21-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride?
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride has a molecular weight of 424.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119878253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).