3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide

C14H20ClN3O — CID 102669228

IUPAC3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide
SMILESCC1CNCC(C)N1Cc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-9-6-17-7-10(2)18(9)8-12-4-3-11(14(16)19)5-13(12)15/h3-5,9-10,17H,6-8H2,1-2H3,(H2,16,19)
InChIKeyFILGQUGTCFJFKO-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.62
Rot. Bonds3

About 3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide

3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide (PubChem CID 102669228) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide
PubChem CID102669228
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide
SMILESCC1CNCC(C)N1Cc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-9-6-17-7-10(2)18(9)8-12-4-3-11(14(16)19)5-13(12)15/h3-5,9-10,17H,6-8H2,1-2H3,(H2,16,19)
InChIKeyFILGQUGTCFJFKO-UHFFFAOYSA-N
XLogP1.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-3-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]benzoate;hydrochloride
CID 120844686
4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide
CID 103577160
4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3-chlorobenzamide
CID 102669340
3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide
CID 102668905
3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide
CID 102669284
3-chloro-4-(piperidin-4-yloxymethyl)benzamide
CID 102668830
3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935941
3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide
CID 102664681
3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide
CID 102668901
4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide
CID 82713644
3-chloro-4-[(thian-4-ylamino)methyl]benzamide
CID 102665132
1-[3-[(2,6-dimethylpiperazin-1-yl)methyl]-4-ethoxyphenyl]ethanone
CID 63911813

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of 3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide (CID 102669228) is 3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide is CC1CNCC(C)N1Cc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide?
The InChIKey is FILGQUGTCFJFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-9-6-17-7-10(2)18(9)8-12-4-3-11(14(16)19)5-13(12)15/h3-5,9-10,17H,6-8H2,1-2H3,(H2,16,19).
What are the key properties of 3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide?
3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide has a molecular weight of 281.79 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 102669228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).