N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride

C16H27Cl2N3O — CID 120507626

IUPACN-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride
SMILESC[C@@H](CN)NC(=O)C1CCCN(Cc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-13(10-17)18-16(20)15-8-5-9-19(12-15)11-14-6-3-2-4-7-14;;/h2-4,6-7,13,15H,5,8-12,17H2,1H3,(H,18,20);2*1H/t13-,15?;;/m0../s1
InChIKeyAGWAWNMPMIIYTP-GMDIQBKMSA-N
MW348.32 g/mol
LogP2.21
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride

N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride (PubChem CID 120507626) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride
PubChem CID120507626
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride
SMILESC[C@@H](CN)NC(=O)C1CCCN(Cc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-13(10-17)18-16(20)15-8-5-9-19(12-15)11-14-6-3-2-4-7-14;;/h2-4,6-7,13,15H,5,8-12,17H2,1H3,(H,18,20);2*1H/t13-,15?;;/m0../s1
InChIKeyAGWAWNMPMIIYTP-GMDIQBKMSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate
CID 95967789
(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 38102289
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
(2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119367101
(3R)-1-[(4-chlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94008875
1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
CID 82384810
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 93492247
(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851206
1-[(3,4-dichlorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924672
(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38102948

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride (CID 120507626) is N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride is C[C@@H](CN)NC(=O)C1CCCN(Cc2ccccc2)C1.Cl.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride?
The InChIKey is AGWAWNMPMIIYTP-GMDIQBKMSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-13(10-17)18-16(20)15-8-5-9-19(12-15)11-14-6-3-2-4-7-14;;/h2-4,6-7,13,15H,5,8-12,17H2,1H3,(H,18,20);2*1H/t13-,15?;;/m0../s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride?
N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120507626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).