N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride

C20H24ClN3O2 — CID 91641898

IUPACN-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride
SMILESCl.Nc1ccc(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O2.ClH/c21-17-8-6-15(7-9-17)14-19(24)23-12-10-18(11-13-23)22-20(25)16-4-2-1-3-5-16;/h1-9,18H,10-14,21H2,(H,22,25);1H
InChIKeyKDTDXZOGSABWNI-UHFFFAOYSA-N
MW373.88 g/mol
LogP2.65
Rot. Bonds4

About N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride

N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride (PubChem CID 91641898) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride
PubChem CID91641898
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride
SMILESCl.Nc1ccc(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O2.ClH/c21-17-8-6-15(7-9-17)14-19(24)23-12-10-18(11-13-23)22-20(25)16-4-2-1-3-5-16;/h1-9,18H,10-14,21H2,(H,22,25);1H
InChIKeyKDTDXZOGSABWNI-UHFFFAOYSA-N
XLogP2.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;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

N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]benzamide
CID 33308755
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 119702473
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride
CID 119698223
5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide
CID 108551717
2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108550222
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide
CID 119949242
N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119275880
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 119900175

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride?
The IUPAC name of N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride (CID 91641898) is N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride?
The canonical SMILES for N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride is Cl.Nc1ccc(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride?
The InChIKey is KDTDXZOGSABWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c21-17-8-6-15(7-9-17)14-19(24)23-12-10-18(11-13-23)22-20(25)16-4-2-1-3-5-16;/h1-9,18H,10-14,21H2,(H,22,25);1H.
What are the key properties of N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride?
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride is sourced from PubChem (CID 91641898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).