4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride

C19H23ClN4O2 — CID 119765351

IUPAC4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)N2CCN(C(=O)c3cccc(N)c3)CC2)c1.Cl
InChIInChI=1S/C19H22N4O2.ClH/c1-14-4-2-7-17(12-14)21-19(25)23-10-8-22(9-11-23)18(24)15-5-3-6-16(20)13-15;/h2-7,12-13H,8-11,20H2,1H3,(H,21,25);1H
InChIKeyWQLFOJMZKMSGJY-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.99
Rot. Bonds2

About 4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride

4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 119765351) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride
PubChem CID119765351
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)N2CCN(C(=O)c3cccc(N)c3)CC2)c1.Cl
InChIInChI=1S/C19H22N4O2.ClH/c1-14-4-2-7-17(12-14)21-19(25)23-10-8-22(9-11-23)18(24)15-5-3-6-16(20)13-15;/h2-7,12-13H,8-11,20H2,1H3,(H,21,25);1H
InChIKeyWQLFOJMZKMSGJY-UHFFFAOYSA-N
XLogP2.99
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
N-(3-methylphenyl)-4-(3-nitrobenzoyl)piperazine-1-carboxamide
CID 49467498
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 55738186
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
N-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide
CID 122146787
4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide
CID 110637812
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 130320192
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide
CID 55156325
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119686678

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride (CID 119765351) is 4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride is Cc1cccc(NC(=O)N2CCN(C(=O)c3cccc(N)c3)CC2)c1.Cl.
What is the InChIKey of 4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is WQLFOJMZKMSGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.ClH/c1-14-4-2-7-17(12-14)21-19(25)23-10-8-22(9-11-23)18(24)15-5-3-6-16(20)13-15;/h2-7,12-13H,8-11,20H2,1H3,(H,21,25);1H.
What are the key properties of 4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride?
4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119765351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).