1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride

C19H21Cl2N3O2 — CID 119754548

IUPAC1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride
SMILESCl.Nc1cccc(C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)c1
InChIInChI=1S/C19H20ClN3O2.ClH/c20-17-7-2-1-4-14(17)13-18(24)22-8-10-23(11-9-22)19(25)15-5-3-6-16(21)12-15;/h1-7,12H,8-11,13,21H2;1H
InChIKeyKKTZUANPSDPWQE-UHFFFAOYSA-N
MW394.30 g/mol
LogP2.87
Rot. Bonds3

About 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride

1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride (PubChem CID 119754548) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride
PubChem CID119754548
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride
SMILESCl.Nc1cccc(C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)c1
InChIInChI=1S/C19H20ClN3O2.ClH/c20-17-7-2-1-4-14(17)13-18(24)22-8-10-23(11-9-22)19(25)15-5-3-6-16(21)12-15;/h1-7,12H,8-11,13,21H2;1H
InChIKeyKKTZUANPSDPWQE-UHFFFAOYSA-N
XLogP2.87
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;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

1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 119754874
1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone
CID 119306674
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
(3-aminophenyl)-(4-benzylpiperazin-1-yl)methanone;dihydrochloride
CID 119826758
2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 32528222
(3-aminophenyl)-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747861
2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833686
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119686678
2-(2-chlorophenyl)-1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798857
2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone
CID 166358982

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride?
The IUPAC name of 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride (CID 119754548) is 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride is Cl.Nc1cccc(C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)c1.
What is the InChIKey of 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride?
The InChIKey is KKTZUANPSDPWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2.ClH/c20-17-7-2-1-4-14(17)13-18(24)22-8-10-23(11-9-22)19(25)15-5-3-6-16(21)12-15;/h1-7,12H,8-11,13,21H2;1H.
What are the key properties of 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride?
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride has a molecular weight of 394.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride is sourced from PubChem (CID 119754548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).