3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide

C20H24N4O2 — CID 9254212

IUPAC3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCN(c3ccncc3)CC2)cc1C
InChIInChI=1S/C20H24N4O2/c1-15-3-4-17(13-16(15)2)20(26)22-14-19(25)24-11-9-23(10-12-24)18-5-7-21-8-6-18/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)
InChIKeyKHZPRJNRWIZJNG-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.78
Rot. Bonds4

About 3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide

3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide (PubChem CID 9254212) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide
PubChem CID9254212
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCN(c3ccncc3)CC2)cc1C
InChIInChI=1S/C20H24N4O2/c1-15-3-4-17(13-16(15)2)20(26)22-14-19(25)24-11-9-23(10-12-24)18-5-7-21-8-6-18/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)
InChIKeyKHZPRJNRWIZJNG-UHFFFAOYSA-N
XLogP1.78
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708769
N-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 38607876
2-(3,4-dimethylphenyl)sulfanyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 9254790
4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
CID 9255619
N-[2-oxo-2-[4-[2-(pyridine-4-carbonylamino)acetyl]-1,4-diazepan-1-yl]ethyl]pyridine-4-carboxamide
CID 166219117
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 38491208
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide
CID 51160837
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide
CID 25398392
3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 42001425
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9081766
3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889269

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide (CID 9254212) is 3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide is Cc1ccc(C(=O)NCC(=O)N2CCN(c3ccncc3)CC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is KHZPRJNRWIZJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15-3-4-17(13-16(15)2)20(26)22-14-19(25)24-11-9-23(10-12-24)18-5-7-21-8-6-18/h3-8,13H,9-12,14H2,1-2H3,(H,22,26).
What are the key properties of 3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide?
3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 352.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 9254212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).