3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride

C21H25ClN2O2 — CID 119949267

IUPAC3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCl.NC(CC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H24N2O2.ClH/c22-19(16-7-3-1-4-8-16)15-20(24)23-13-11-18(12-14-23)21(25)17-9-5-2-6-10-17;/h1-10,18-19H,11-15,22H2;1H
InChIKeyKQZQGFWZRCYTOL-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.62
Rot. Bonds5

About 3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride

3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride (PubChem CID 119949267) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
PubChem CID119949267
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCl.NC(CC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H24N2O2.ClH/c22-19(16-7-3-1-4-8-16)15-20(24)23-13-11-18(12-14-23)21(25)17-9-5-2-6-10-17;/h1-10,18-19H,11-15,22H2;1H
InChIKeyKQZQGFWZRCYTOL-UHFFFAOYSA-N
XLogP3.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119699766
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide
CID 119949242
1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 99850189
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 62941753
3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 71897861
3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119949251
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-3-amino-3-phenylpropan-1-one;hydrochloride
CID 119951607
(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid
CID 81120276
4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide
CID 61041324
(2S)-2-amino-1-(4-benzoylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 119699780
1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone
CID 86861012

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride (CID 119949267) is 3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride is Cl.NC(CC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The InChIKey is KQZQGFWZRCYTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2.ClH/c22-19(16-7-3-1-4-8-16)15-20(24)23-13-11-18(12-14-23)21(25)17-9-5-2-6-10-17;/h1-10,18-19H,11-15,22H2;1H.
What are the key properties of 3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119949267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).