3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride

C16H27Cl2N3O — CID 119856024

IUPAC3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
SMILESCC(N)CC(=O)NC1CCCN(Cc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-13(17)10-16(20)18-15-8-5-9-19(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
InChIKeyHGQLIOQOAGZWSD-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.35
Rot. Bonds5

About 3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride

3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride (PubChem CID 119856024) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
PubChem CID119856024
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
SMILESCC(N)CC(=O)NC1CCCN(Cc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-13(17)10-16(20)18-15-8-5-9-19(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
InChIKeyHGQLIOQOAGZWSD-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64590485
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
3-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
CID 113239292
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
3-[(1-benzylpiperidin-3-yl)amino]-2-methylbutanoic acid
CID 79396709
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride (CID 119856024) is 3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride is CC(N)CC(=O)NC1CCCN(Cc2ccccc2)C1.Cl.Cl.
What is the InChIKey of 3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride?
The InChIKey is HGQLIOQOAGZWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-13(17)10-16(20)18-15-8-5-9-19(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.
What are the key properties of 3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride?
3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride is sourced from PubChem (CID 119856024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).