N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride

C17H26ClN3O2 — CID 120590583

IUPACN-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
SMILESCC(=O)N(C)C1CCN(C(=O)C(C)(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-13(21)19(3)15-9-11-20(12-10-15)16(22)17(2,18)14-7-5-4-6-8-14;/h4-8,15H,9-12,18H2,1-3H3;1H
InChIKeyIMCIIGJSKXVFNQ-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.75
Rot. Bonds3

About N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride

N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride (PubChem CID 120590583) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
PubChem CID120590583
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
SMILESCC(=O)N(C)C1CCN(C(=O)C(C)(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-13(21)19(3)15-9-11-20(12-10-15)16(22)17(2,18)14-7-5-4-6-8-14;/h4-8,15H,9-12,18H2,1-3H3;1H
InChIKeyIMCIIGJSKXVFNQ-UHFFFAOYSA-N
XLogP1.75
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589033
2-amino-1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080376
2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 120595489
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 120588873
2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one
CID 120595139
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119900172
2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one
CID 120587581
2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropan-1-one
CID 82015374
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591375
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-amino-2-phenylpropan-1-one
CID 120592446

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride?
The IUPAC name of N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride (CID 120590583) is N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride?
The canonical SMILES for N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride is CC(=O)N(C)C1CCN(C(=O)C(C)(N)c2ccccc2)CC1.Cl.
What is the InChIKey of N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride?
The InChIKey is IMCIIGJSKXVFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-13(21)19(3)15-9-11-20(12-10-15)16(22)17(2,18)14-7-5-4-6-8-14;/h4-8,15H,9-12,18H2,1-3H3;1H.
What are the key properties of N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride?
N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 120590583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).