3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride

C16H27Cl2N3O — CID 119952838

IUPAC3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride
SMILESCl.Cl.NC(CC(=O)NCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25N3O.2ClH/c17-15(14-7-3-1-4-8-14)13-16(20)18-9-12-19-10-5-2-6-11-19;;/h1,3-4,7-8,15H,2,5-6,9-13,17H2,(H,18,20);2*1H
InChIKeyWQBZWUOHXVDGSF-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.52
Rot. Bonds6

About 3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride

3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride (PubChem CID 119952838) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride
PubChem CID119952838
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride
SMILESCl.Cl.NC(CC(=O)NCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25N3O.2ClH/c17-15(14-7-3-1-4-8-14)13-16(20)18-9-12-19-10-5-2-6-11-19;;/h1,3-4,7-8,15H,2,5-6,9-13,17H2,(H,18,20);2*1H
InChIKeyWQBZWUOHXVDGSF-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide
CID 119953878
3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide
CID 119953269
4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119953883
3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119952808
3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride
CID 119953137
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951028
3-amino-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 62878557
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61240014
3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride
CID 119952744
benzhydryl N-(2-piperidin-1-ylethyl)carbamate
CID 171986616
3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide
CID 104502480

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride?
The IUPAC name of 3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride (CID 119952838) is 3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride?
The canonical SMILES for 3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride is Cl.Cl.NC(CC(=O)NCCN1CCCCC1)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride?
The InChIKey is WQBZWUOHXVDGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c17-15(14-7-3-1-4-8-14)13-16(20)18-9-12-19-10-5-2-6-11-19;;/h1,3-4,7-8,15H,2,5-6,9-13,17H2,(H,18,20);2*1H.
What are the key properties of 3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride?
3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride is sourced from PubChem (CID 119952838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).