1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid

C20H24N4O4 — CID 120528058

IUPAC1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid
SMILESCn1nccc1CCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C20H24N4O4/c1-23-17(8-11-21-23)6-7-18(25)22-16-4-2-14(3-5-16)19(26)24-12-9-15(10-13-24)20(27)28/h2-5,8,11,15H,6-7,9-10,12-13H2,1H3,(H,22,25)(H,27,28)
InChIKeyIVBWFXVTAFSKLD-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.93
Rot. Bonds6

About 1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid

1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid (PubChem CID 120528058) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid
PubChem CID120528058
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid
SMILESCn1nccc1CCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C20H24N4O4/c1-23-17(8-11-21-23)6-7-18(25)22-16-4-2-14(3-5-16)19(26)24-12-9-15(10-13-24)20(27)28/h2-5,8,11,15H,6-7,9-10,12-13H2,1H3,(H,22,25)(H,27,28)
InChIKeyIVBWFXVTAFSKLD-UHFFFAOYSA-N
XLogP1.93
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid
CID 119250666
3-(2-methylpyrazol-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 131890072
1-[4-[3-(5-methyloxolan-2-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid
CID 119250602
1-[4-(3-butylsulfanylpropanoylamino)benzoyl]piperidine-4-carboxylic acid
CID 119250568
4-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)anilino]propyl]benzoic acid
CID 119180120
1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250648
1-[4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250541
1-[4-[(1-methylcyclopentanecarbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250461
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250636
1-[4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzoyl]piperidine-4-carboxylic acid
CID 39080456
1-[4-[(3,5-dimethylfuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250572

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid (CID 120528058) is 1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid is Cn1nccc1CCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid?
The InChIKey is IVBWFXVTAFSKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-23-17(8-11-21-23)6-7-18(25)22-16-4-2-14(3-5-16)19(26)24-12-9-15(10-13-24)20(27)28/h2-5,8,11,15H,6-7,9-10,12-13H2,1H3,(H,22,25)(H,27,28).
What are the key properties of 1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid?
1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 120528058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).