(2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride

C16H27Cl2N3O — CID 119862385

IUPAC(2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride
SMILESCCN1CCCC(NC(=O)[C@@H](N)Cc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-2-19-10-6-9-14(12-19)18-16(20)15(17)11-13-7-4-3-5-8-13;;/h3-5,7-8,14-15H,2,6,9-12,17H2,1H3,(H,18,20);2*1H/t14?,15-;;/m0../s1
InChIKeyVCGCZFKXSAKVEH-VGYAGVDUSA-N
MW348.32 g/mol
LogP2.00
Rot. Bonds5

About (2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride

(2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride (PubChem CID 119862385) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride
PubChem CID119862385
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name(2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride
SMILESCCN1CCCC(NC(=O)[C@@H](N)Cc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-2-19-10-6-9-14(12-19)18-16(20)15(17)11-13-7-4-3-5-8-13;;/h3-5,7-8,14-15H,2,6,9-12,17H2,1H3,(H,18,20);2*1H/t14?,15-;;/m0../s1
InChIKeyVCGCZFKXSAKVEH-VGYAGVDUSA-N
XLogP2.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119831669
(2R)-2-amino-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
CID 61169816
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
N-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide
CID 139013773
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
2-amino-3-phenyl-N-(1-phenylpyrrolidin-3-yl)propanamide
CID 119861685
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048
N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride
CID 119310793
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride (CID 119862385) is (2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride is CCN1CCCC(NC(=O)[C@@H](N)Cc2ccccc2)C1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride?
The InChIKey is VCGCZFKXSAKVEH-VGYAGVDUSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-2-19-10-6-9-14(12-19)18-16(20)15(17)11-13-7-4-3-5-8-13;;/h3-5,7-8,14-15H,2,6,9-12,17H2,1H3,(H,18,20);2*1H/t14?,15-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride?
(2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119862385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).