N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride

C21H26ClN3O2 — CID 119374484

IUPACN-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride
SMILESCl.NC1CCN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2.ClH/c22-18-11-13-24(14-12-18)20(25)15-19(16-7-3-1-4-8-16)23-21(26)17-9-5-2-6-10-17;/h1-10,18-19H,11-15,22H2,(H,23,26);1H
InChIKeyISNICMOQVJPGNT-UHFFFAOYSA-N
MW387.91 g/mol
LogP2.92
Rot. Bonds5

About N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride

N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride (PubChem CID 119374484) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride
PubChem CID119374484
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride
SMILESCl.NC1CCN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2.ClH/c22-18-11-13-24(14-12-18)20(25)15-19(16-7-3-1-4-8-16)23-21(26)17-9-5-2-6-10-17;/h1-10,18-19H,11-15,22H2,(H,23,26);1H
InChIKeyISNICMOQVJPGNT-UHFFFAOYSA-N
XLogP2.92
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119410927
N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide
CID 119401596
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119411136
N-[2-(4-aminopiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 119372896
N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 78774048
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119490077
1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
CID 72638559
N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
CID 26009471
N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide
CID 51293034
4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239627
1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119404

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride?
The IUPAC name of N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride (CID 119374484) is N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride.
What is the SMILES notation for N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride?
The canonical SMILES for N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride is Cl.NC1CCN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride?
The InChIKey is ISNICMOQVJPGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c22-18-11-13-24(14-12-18)20(25)15-19(16-7-3-1-4-8-16)23-21(26)17-9-5-2-6-10-17;/h1-10,18-19H,11-15,22H2,(H,23,26);1H.
What are the key properties of N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride?
N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride is sourced from PubChem (CID 119374484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).