3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride

C15H22ClN3O2 — CID 120569899

IUPAC3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1cccc(C(=O)N2CCNC(C)C2C)c1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-10-11(2)18(8-7-17-10)15(20)13-6-4-5-12(9-13)14(19)16-3;/h4-6,9-11,17H,7-8H2,1-3H3,(H,16,19);1H
InChIKeyQUCBCZPOFJLSMY-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.29
Rot. Bonds2

About 3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride

3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride (PubChem CID 120569899) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride
PubChem CID120569899
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1cccc(C(=O)N2CCNC(C)C2C)c1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-10-11(2)18(8-7-17-10)15(20)13-6-4-5-12(9-13)14(19)16-3;/h4-6,9-11,17H,7-8H2,1-3H3,(H,16,19);1H
InChIKeyQUCBCZPOFJLSMY-UHFFFAOYSA-N
XLogP1.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 82302377
[3-[(dimethylamino)methyl]phenyl]-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120571367
3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide
CID 120569496
N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride
CID 120570517
(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571214
(3-cyclopentyloxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571016
N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120570628
(2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 120572200
(2,3-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 120570248
(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120569818
(4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120573035
3-bromo-N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide;hydrochloride
CID 120572721

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride?
The IUPAC name of 3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride (CID 120569899) is 3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride?
The canonical SMILES for 3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride is CNC(=O)c1cccc(C(=O)N2CCNC(C)C2C)c1.Cl.
What is the InChIKey of 3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride?
The InChIKey is QUCBCZPOFJLSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-10-11(2)18(8-7-17-10)15(20)13-6-4-5-12(9-13)14(19)16-3;/h4-6,9-11,17H,7-8H2,1-3H3,(H,16,19);1H.
What are the key properties of 3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride?
3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 120569899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).