N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride

C20H24ClN3O2 — CID 119579469

IUPACN-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
SMILESCc1ccc(C(=O)N2CCNC(C)C2)cc1NC(=O)c1ccccc1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-14-8-9-17(20(25)23-11-10-21-15(2)13-23)12-18(14)22-19(24)16-6-4-3-5-7-16;/h3-9,12,15,21H,10-11,13H2,1-2H3,(H,22,24);1H
InChIKeyJJYSLDGVXSBCNL-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.10
Rot. Bonds3

About N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride

N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride (PubChem CID 119579469) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
PubChem CID119579469
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
SMILESCc1ccc(C(=O)N2CCNC(C)C2)cc1NC(=O)c1ccccc1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-14-8-9-17(20(25)23-11-10-21-15(2)13-23)12-18(14)22-19(24)16-6-4-3-5-7-16;/h3-9,12,15,21H,10-11,13H2,1-2H3,(H,22,24);1H
InChIKeyJJYSLDGVXSBCNL-UHFFFAOYSA-N
XLogP3.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119402734
1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119354954
N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119541237
N-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119579861
4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119576131
1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251150
N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide
CID 55630713
(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126
N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 112820366
N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119579255
(4-fluoro-3-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65417667
(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426598

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
The IUPAC name of N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride (CID 119579469) is N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride is Cc1ccc(C(=O)N2CCNC(C)C2)cc1NC(=O)c1ccccc1.Cl.
What is the InChIKey of N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
The InChIKey is JJYSLDGVXSBCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c1-14-8-9-17(20(25)23-11-10-21-15(2)13-23)12-18(14)22-19(24)16-6-4-3-5-7-16;/h3-9,12,15,21H,10-11,13H2,1-2H3,(H,22,24);1H.
What are the key properties of N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119579469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).