3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride

C16H26ClN3O — CID 119911160

IUPAC3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride
SMILESCC(N)C1CCCCN1CCC(=O)Nc1ccccc1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-13(17)15-9-5-6-11-19(15)12-10-16(20)18-14-7-3-2-4-8-14;/h2-4,7-8,13,15H,5-6,9-12,17H2,1H3,(H,18,20);1H
InChIKeyVTPYZBGQTSTDTI-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.64
Rot. Bonds5

About 3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride

3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride (PubChem CID 119911160) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride
PubChem CID119911160
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride
SMILESCC(N)C1CCCCN1CCC(=O)Nc1ccccc1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-13(17)15-9-5-6-11-19(15)12-10-16(20)18-14-7-3-2-4-8-14;/h2-4,7-8,13,15H,5-6,9-12,17H2,1H3,(H,18,20);1H
InChIKeyVTPYZBGQTSTDTI-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119910993
3-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 111496368
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119911982
N-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111107084
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
CID 63255722
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 63255589
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
CID 63255392
2-[2-(aminomethyl)piperidin-1-yl]-N-phenylacetamide
CID 43186987
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 63255628
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119911565
2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide
CID 63254876

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride?
The IUPAC name of 3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride (CID 119911160) is 3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride is CC(N)C1CCCCN1CCC(=O)Nc1ccccc1.Cl.
What is the InChIKey of 3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride?
The InChIKey is VTPYZBGQTSTDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.ClH/c1-13(17)15-9-5-6-11-19(15)12-10-16(20)18-14-7-3-2-4-8-14;/h2-4,7-8,13,15H,5-6,9-12,17H2,1H3,(H,18,20);1H.
What are the key properties of 3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride?
3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119911160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).