3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide

C13H18ClN3O — CID 63873145

IUPAC3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide
SMILESCC1CN(c2ccc(C(N)=O)cc2Cl)CC(C)N1
InChIInChI=1S/C13H18ClN3O/c1-8-6-17(7-9(2)16-8)12-4-3-10(13(15)18)5-11(12)14/h3-5,8-9,16H,6-7H2,1-2H3,(H2,15,18)
InChIKeyMGAJRCFEWBLRBI-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.63
Rot. Bonds2

About 3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide

3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide (PubChem CID 63873145) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide
PubChem CID63873145
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide
SMILESCC1CN(c2ccc(C(N)=O)cc2Cl)CC(C)N1
InChIInChI=1S/C13H18ClN3O/c1-8-6-17(7-9(2)16-8)12-4-3-10(13(15)18)5-11(12)14/h3-5,8-9,16H,6-7H2,1-2H3,(H2,15,18)
InChIKeyMGAJRCFEWBLRBI-UHFFFAOYSA-N
XLogP1.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide?
The IUPAC name of 3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide (CID 63873145) is 3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide.
What is the SMILES notation for 3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide?
The canonical SMILES for 3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide is CC1CN(c2ccc(C(N)=O)cc2Cl)CC(C)N1.
What is the InChIKey of 3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide?
The InChIKey is MGAJRCFEWBLRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-8-6-17(7-9(2)16-8)12-4-3-10(13(15)18)5-11(12)14/h3-5,8-9,16H,6-7H2,1-2H3,(H2,15,18).
What are the key properties of 3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide?
3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide has a molecular weight of 267.76 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide is sourced from PubChem (CID 63873145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).