2-(2-methylpiperazin-1-yl)benzamide

C12H17N3O — CID 22411270

IUPAC2-(2-methylpiperazin-1-yl)benzamide
SMILESCC1CNCCN1c1ccccc1C(N)=O
InChIInChI=1S/C12H17N3O/c1-9-8-14-6-7-15(9)11-5-3-2-4-10(11)12(13)16/h2-5,9,14H,6-8H2,1H3,(H2,13,16)
InChIKeyOEOJRQVCRDCWGJ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.58
Rot. Bonds2

About 2-(2-methylpiperazin-1-yl)benzamide

2-(2-methylpiperazin-1-yl)benzamide (PubChem CID 22411270) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)benzamide
PubChem CID22411270
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(2-methylpiperazin-1-yl)benzamide
SMILESCC1CNCCN1c1ccccc1C(N)=O
InChIInChI=1S/C12H17N3O/c1-9-8-14-6-7-15(9)11-5-3-2-4-10(11)12(13)16/h2-5,9,14H,6-8H2,1H3,(H2,13,16)
InChIKeyOEOJRQVCRDCWGJ-UHFFFAOYSA-N
XLogP0.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)benzamide?
The IUPAC name of 2-(2-methylpiperazin-1-yl)benzamide (CID 22411270) is 2-(2-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)benzamide is CC1CNCCN1c1ccccc1C(N)=O.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)benzamide?
The InChIKey is OEOJRQVCRDCWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-8-14-6-7-15(9)11-5-3-2-4-10(11)12(13)16/h2-5,9,14H,6-8H2,1H3,(H2,13,16).
What are the key properties of 2-(2-methylpiperazin-1-yl)benzamide?
2-(2-methylpiperazin-1-yl)benzamide has a molecular weight of 219.29 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 22411270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).