3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride

C20H24ClN3O2 — CID 120608110

IUPAC3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H23N3O2.ClH/c21-18-9-5-4-6-16(18)10-11-19(24)22-12-14-23(15-13-22)20(25)17-7-2-1-3-8-17;/h1-9H,10-15,21H2;1H
InChIKeyYOGVYHZIYIUVEA-UHFFFAOYSA-N
MW373.88 g/mol
LogP2.61
Rot. Bonds4

About 3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride

3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride (PubChem CID 120608110) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride
PubChem CID120608110
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H23N3O2.ClH/c21-18-9-5-4-6-16(18)10-11-19(24)22-12-14-23(15-13-22)20(25)17-7-2-1-3-8-17;/h1-9H,10-15,21H2;1H
InChIKeyYOGVYHZIYIUVEA-UHFFFAOYSA-N
XLogP2.61
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120608667
2-[3-(4-benzoyl-1,4-diazepan-1-yl)-3-oxopropyl]benzoic acid
CID 120549443
3-(2-aminophenyl)-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 120612951
3-(2-aminophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 120608216
3-(2-aminophenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 120612183
3-(2-aminophenyl)-1-[4-(benzenesulfonyl)piperazin-1-yl]propan-1-one
CID 120608007
4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride
CID 120608383
3-(2-aminophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]propan-1-one;dihydrochloride
CID 120612307
3-(2-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120609548
3-(2-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 107272971
1-[4-[3-(2-aminophenyl)propanoyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 120609476
3-(2-aminophenyl)-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]propan-1-one
CID 120613040

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride (CID 120608110) is 3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride is Cl.Nc1ccccc1CCC(=O)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride?
The InChIKey is YOGVYHZIYIUVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c21-18-9-5-4-6-16(18)10-11-19(24)22-12-14-23(15-13-22)20(25)17-7-2-1-3-8-17;/h1-9H,10-15,21H2;1H.
What are the key properties of 3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride?
3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120608110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).