1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid

C19H22N4O4 — CID 119250648

IUPAC1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
SMILESCc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)n(C)n1
InChIInChI=1S/C19H22N4O4/c1-12-11-16(22(2)21-12)17(24)20-15-5-3-13(4-6-15)18(25)23-9-7-14(8-10-23)19(26)27/h3-6,11,14H,7-10H2,1-2H3,(H,20,24)(H,26,27)
InChIKeyCJQVXROPZTUHHO-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.92
Rot. Bonds4

About 1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid

1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid (PubChem CID 119250648) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
PubChem CID119250648
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
SMILESCc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)n(C)n1
InChIInChI=1S/C19H22N4O4/c1-12-11-16(22(2)21-12)17(24)20-15-5-3-13(4-6-15)18(25)23-9-7-14(8-10-23)19(26)27/h3-6,11,14H,7-10H2,1-2H3,(H,20,24)(H,26,27)
InChIKeyCJQVXROPZTUHHO-UHFFFAOYSA-N
XLogP1.92
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250541
1-[4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250668
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024230
1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250636
1-[4-[(3,5-dimethylfuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250572
1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528053
1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250693
1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528030
1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528033
N-[4-(bromomethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114310907
1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250444

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid (CID 119250648) is 1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid is Cc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)n(C)n1.
What is the InChIKey of 1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
The InChIKey is CJQVXROPZTUHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-12-11-16(22(2)21-12)17(24)20-15-5-3-13(4-6-15)18(25)23-9-7-14(8-10-23)19(26)27/h3-6,11,14H,7-10H2,1-2H3,(H,20,24)(H,26,27).
What are the key properties of 1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119250648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).