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

C19H22ClN3O2 — CID 119402734

IUPACN-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
SMILESCc1ccc(C(=O)N2CCNCC2)cc1NC(=O)c1ccccc1.Cl
InChIInChI=1S/C19H21N3O2.ClH/c1-14-7-8-16(19(24)22-11-9-20-10-12-22)13-17(14)21-18(23)15-5-3-2-4-6-15;/h2-8,13,20H,9-12H2,1H3,(H,21,23);1H
InChIKeyJSTFSALNSNJCJB-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.71
Rot. Bonds3

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

N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride (PubChem CID 119402734) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
PubChem CID119402734
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
SMILESCc1ccc(C(=O)N2CCNCC2)cc1NC(=O)c1ccccc1.Cl
InChIInChI=1S/C19H21N3O2.ClH/c1-14-7-8-16(19(24)22-11-9-20-10-12-22)13-17(14)21-18(23)15-5-3-2-4-6-15;/h2-8,13,20H,9-12H2,1H3,(H,21,23);1H
InChIKeyJSTFSALNSNJCJB-UHFFFAOYSA-N
XLogP2.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119579469
1-[5-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-3-phenylurea
CID 119418250
1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251150
3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447939
N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 112820366
N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide
CID 55630713
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
3-chloro-N-[5-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-1-benzothiophene-2-carboxamide
CID 23875939
N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119403063
N-[4-(1,4-diazepane-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119417229
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
The IUPAC name of N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride (CID 119402734) is N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride is Cc1ccc(C(=O)N2CCNCC2)cc1NC(=O)c1ccccc1.Cl.
What is the InChIKey of N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
The InChIKey is JSTFSALNSNJCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.ClH/c1-14-7-8-16(19(24)22-11-9-20-10-12-22)13-17(14)21-18(23)15-5-3-2-4-6-15;/h2-8,13,20H,9-12H2,1H3,(H,21,23);1H.
What are the key properties of N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 2.71, 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-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119402734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).