3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride

C14H20ClN3O2 — CID 119564571

IUPAC3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride
SMILESCC1CN(C(=O)c2cccc(C(N)=O)c2)CC(C)N1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-9-7-17(8-10(2)16-9)14(19)12-5-3-4-11(6-12)13(15)18;/h3-6,9-10,16H,7-8H2,1-2H3,(H2,15,18);1H
InChIKeyPRMJKIUQOKRBHL-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.03
Rot. Bonds2

About 3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride

3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride (PubChem CID 119564571) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride
PubChem CID119564571
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride
SMILESCC1CN(C(=O)c2cccc(C(N)=O)c2)CC(C)N1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-9-7-17(8-10(2)16-9)14(19)12-5-3-4-11(6-12)13(15)18;/h3-6,9-10,16H,7-8H2,1-2H3,(H2,15,18);1H
InChIKeyPRMJKIUQOKRBHL-UHFFFAOYSA-N
XLogP1.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide
CID 124589501
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124590395
1-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-1,3-diazinan-2-one
CID 124590622
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 124589051
5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide
CID 124590095
(3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride
CID 122147940
(4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564258
3-(azecane-1-carbonyl)benzamide
CID 66696565
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
(3,5-dimethylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119564732

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride?
The IUPAC name of 3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride (CID 119564571) is 3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride.
What is the SMILES notation for 3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride?
The canonical SMILES for 3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride is CC1CN(C(=O)c2cccc(C(N)=O)c2)CC(C)N1.Cl.
What is the InChIKey of 3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride?
The InChIKey is PRMJKIUQOKRBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-9-7-17(8-10(2)16-9)14(19)12-5-3-4-11(6-12)13(15)18;/h3-6,9-10,16H,7-8H2,1-2H3,(H2,15,18);1H.
What are the key properties of 3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride?
3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride is sourced from PubChem (CID 119564571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).