3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide

C19H26N6O2 — CID 110122364

IUPAC3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C2CNCCN2CC(=O)Nc2cnn(C)c2C)c1
InChIInChI=1S/C19H26N6O2/c1-13-16(10-22-24(13)3)23-18(26)12-25-8-7-21-11-17(25)14-5-4-6-15(9-14)19(27)20-2/h4-6,9-10,17,21H,7-8,11-12H2,1-3H3,(H,20,27)(H,23,26)
InChIKeyCGVVFPRZVBQSEQ-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.67
Rot. Bonds5

About 3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide

3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide (PubChem CID 110122364) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
PubChem CID110122364
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C2CNCCN2CC(=O)Nc2cnn(C)c2C)c1
InChIInChI=1S/C19H26N6O2/c1-13-16(10-22-24(13)3)23-18(26)12-25-8-7-21-11-17(25)14-5-4-6-15(9-14)19(27)20-2/h4-6,9-10,17,21H,7-8,11-12H2,1-3H3,(H,20,27)(H,23,26)
InChIKeyCGVVFPRZVBQSEQ-UHFFFAOYSA-N
XLogP0.67
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
CID 110122331
N-methyl-3-[(2S)-1-[(3-methylimidazol-4-yl)methyl]piperazin-2-yl]benzamide
CID 124972395
N-methyl-3-[(2R)-1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-yl]benzamide
CID 125018311
N-methyl-3-[1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-yl]benzamide
CID 110109471
N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide
CID 124952417
3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide
CID 110109482
N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide
CID 124962672
N-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 46957686
N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide
CID 124968626
3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide
CID 110109496
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 120771204
N-(2,5-dimethylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756812

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide?
The IUPAC name of 3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide (CID 110122364) is 3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide is CNC(=O)c1cccc(C2CNCCN2CC(=O)Nc2cnn(C)c2C)c1.
What is the InChIKey of 3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide?
The InChIKey is CGVVFPRZVBQSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13-16(10-22-24(13)3)23-18(26)12-25-8-7-21-11-17(25)14-5-4-6-15(9-14)19(27)20-2/h4-6,9-10,17,21H,7-8,11-12H2,1-3H3,(H,20,27)(H,23,26).
What are the key properties of 3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide?
3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide has a molecular weight of 370.46 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide is sourced from PubChem (CID 110122364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).