2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid

C19H22N4O4 — CID 120551885

IUPAC2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid
SMILESCc1cc(N2CCCC(NC(=O)Cc3ccccc3C(=O)O)C2=O)n(C)n1
InChIInChI=1S/C19H22N4O4/c1-12-10-17(22(2)21-12)23-9-5-8-15(18(23)25)20-16(24)11-13-6-3-4-7-14(13)19(26)27/h3-4,6-7,10,15H,5,8-9,11H2,1-2H3,(H,20,24)(H,26,27)
InChIKeyYZNZNPXDJFFDOM-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.28
Rot. Bonds5

About 2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid

2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid (PubChem CID 120551885) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid
PubChem CID120551885
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid
SMILESCc1cc(N2CCCC(NC(=O)Cc3ccccc3C(=O)O)C2=O)n(C)n1
InChIInChI=1S/C19H22N4O4/c1-12-10-17(22(2)21-12)23-9-5-8-15(18(23)25)20-16(24)11-13-6-3-4-7-14(13)19(26)27/h3-4,6-7,10,15H,5,8-9,11H2,1-2H3,(H,20,24)(H,26,27)
InChIKeyYZNZNPXDJFFDOM-UHFFFAOYSA-N
XLogP1.28
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 120551878
5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 125146648
3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide
CID 75512323
2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120551295
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide
CID 75512322
N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 97218403
(3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide
CID 124618097
1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
CID 136536189
(2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide
CID 129325928
N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide
CID 99817535
3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide
CID 129470991
6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122048334

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid (CID 120551885) is 2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid is Cc1cc(N2CCCC(NC(=O)Cc3ccccc3C(=O)O)C2=O)n(C)n1.
What is the InChIKey of 2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid?
The InChIKey is YZNZNPXDJFFDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-12-10-17(22(2)21-12)23-9-5-8-15(18(23)25)20-16(24)11-13-6-3-4-7-14(13)19(26)27/h3-4,6-7,10,15H,5,8-9,11H2,1-2H3,(H,20,24)(H,26,27).
What are the key properties of 2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid?
2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid has a molecular weight of 370.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 120551885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).