3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide

C22H30N6O2 — CID 110122331

IUPAC3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C2CNCCN2CC(=O)Nc2ccnn2C2CCCC2)c1
InChIInChI=1S/C22H30N6O2/c1-23-22(30)17-6-4-5-16(13-17)19-14-24-11-12-27(19)15-21(29)26-20-9-10-25-28(20)18-7-2-3-8-18/h4-6,9-10,13,18-19,24H,2-3,7-8,11-12,14-15H2,1H3,(H,23,30)(H,26,29)
InChIKeyWBHCSDXDBNPANJ-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.94
Rot. Bonds6

About 3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide

3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide (PubChem CID 110122331) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
PubChem CID110122331
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C2CNCCN2CC(=O)Nc2ccnn2C2CCCC2)c1
InChIInChI=1S/C22H30N6O2/c1-23-22(30)17-6-4-5-16(13-17)19-14-24-11-12-27(19)15-21(29)26-20-9-10-25-28(20)18-7-2-3-8-18/h4-6,9-10,13,18-19,24H,2-3,7-8,11-12,14-15H2,1H3,(H,23,30)(H,26,29)
InChIKeyWBHCSDXDBNPANJ-UHFFFAOYSA-N
XLogP1.94
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120756360
N-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120757938
3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
CID 110122364
N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide
CID 124968626
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-[1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-yl]benzamide
CID 110109471
N-methyl-3-[(2R)-1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-yl]benzamide
CID 125018311
N-methyl-3-[(2S)-1-[(3-methylimidazol-4-yl)methyl]piperazin-2-yl]benzamide
CID 124972395
N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide
CID 124962672
N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30666713
N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide
CID 51145870

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide?
The IUPAC name of 3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide (CID 110122331) is 3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide is CNC(=O)c1cccc(C2CNCCN2CC(=O)Nc2ccnn2C2CCCC2)c1.
What is the InChIKey of 3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide?
The InChIKey is WBHCSDXDBNPANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-23-22(30)17-6-4-5-16(13-17)19-14-24-11-12-27(19)15-21(29)26-20-9-10-25-28(20)18-7-2-3-8-18/h4-6,9-10,13,18-19,24H,2-3,7-8,11-12,14-15H2,1H3,(H,23,30)(H,26,29).
What are the key properties of 3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide?
3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide has a molecular weight of 410.52 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide is sourced from PubChem (CID 110122331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).