(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride

C16H27Cl2N3O — CID 119878304

IUPAC(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
SMILESC[C@H](N)C(=O)N(C)C1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-13(17)16(20)18(2)15-8-10-19(11-9-15)12-14-6-4-3-5-7-14;;/h3-7,13,15H,8-12,17H2,1-2H3;2*1H/t13-;;/m0../s1
InChIKeyOYMLPIDAXMLCLU-GXKRWWSZSA-N
MW348.32 g/mol
LogP2.30
Rot. Bonds4

About (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride

(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride (PubChem CID 119878304) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
PubChem CID119878304
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
SMILESC[C@H](N)C(=O)N(C)C1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-13(17)16(20)18(2)15-8-10-19(11-9-15)12-14-6-4-3-5-7-14;;/h3-7,13,15H,8-12,17H2,1-2H3;2*1H/t13-;;/m0../s1
InChIKeyOYMLPIDAXMLCLU-GXKRWWSZSA-N
XLogP2.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
CID 120565396
N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide
CID 136525412
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119841949
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide
CID 70738202
1-amino-N-(1-benzylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide
CID 119878264
(2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842325
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 66565350

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride (CID 119878304) is (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride is C[C@H](N)C(=O)N(C)C1CCN(Cc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride?
The InChIKey is OYMLPIDAXMLCLU-GXKRWWSZSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-13(17)16(20)18(2)15-8-10-19(11-9-15)12-14-6-4-3-5-7-14;;/h3-7,13,15H,8-12,17H2,1-2H3;2*1H/t13-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride?
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.30, 4 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-methylpropanamide;dihydrochloride is sourced from PubChem (CID 119878304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).