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

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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).