3,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide

C14H21N3O — CID 912605

IUPAC3,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide
SMILESCc1cc(C)cc(C(=O)NN2CCN(C)CC2)c1
InChIInChI=1S/C14H21N3O/c1-11-8-12(2)10-13(9-11)14(18)15-17-6-4-16(3)5-7-17/h8-10H,4-7H2,1-3H3,(H,15,18)
InChIKeySCBSNKVYYMLWEF-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.20
Rot. Bonds2

About 3,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide

3,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide (PubChem CID 912605) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide
PubChem CID912605
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide
SMILESCc1cc(C)cc(C(=O)NN2CCN(C)CC2)c1
InChIInChI=1S/C14H21N3O/c1-11-8-12(2)10-13(9-11)14(18)15-17-6-4-16(3)5-7-17/h8-10H,4-7H2,1-3H3,(H,15,18)
InChIKeySCBSNKVYYMLWEF-UHFFFAOYSA-N
XLogP1.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide (CID 912605) is 3,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide is Cc1cc(C)cc(C(=O)NN2CCN(C)CC2)c1.
What is the InChIKey of 3,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is SCBSNKVYYMLWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-8-12(2)10-13(9-11)14(18)15-17-6-4-16(3)5-7-17/h8-10H,4-7H2,1-3H3,(H,15,18).
What are the key properties of 3,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide?
3,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 247.34 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 912605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).