[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate

C24H26N4O4 — CID 55569344

IUPAC[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
SMILESNC(=O)C1CCN(C(=O)COC(=O)C2=NN(c3ccccc3)C(c3ccccc3)C2)CC1
InChIInChI=1S/C24H26N4O4/c25-23(30)18-11-13-27(14-12-18)22(29)16-32-24(31)20-15-21(17-7-3-1-4-8-17)28(26-20)19-9-5-2-6-10-19/h1-10,18,21H,11-16H2,(H2,25,30)
InChIKeyJBQBWFUJRMTNMD-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.26
Rot. Bonds6

About [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 55569344) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID55569344
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
SMILESNC(=O)C1CCN(C(=O)COC(=O)C2=NN(c3ccccc3)C(c3ccccc3)C2)CC1
InChIInChI=1S/C24H26N4O4/c25-23(30)18-11-13-27(14-12-18)22(29)16-32-24(31)20-15-21(17-7-3-1-4-8-17)28(26-20)19-9-5-2-6-10-19/h1-10,18,21H,11-16H2,(H2,25,30)
InChIKeyJBQBWFUJRMTNMD-UHFFFAOYSA-N
XLogP2.26
TPSA105.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate 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-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 55560806
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate
CID 7838121
[2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 55561437
1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide
CID 112814319
(3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 36628252
ethyl 4-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 55561596
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate
CID 7980424
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 46671615
(3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 38013267
ethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56508412
ethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 170722092
(3S)-2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657115

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate (CID 55569344) is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate is NC(=O)C1CCN(C(=O)COC(=O)C2=NN(c3ccccc3)C(c3ccccc3)C2)CC1.
What is the InChIKey of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is JBQBWFUJRMTNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c25-23(30)18-11-13-27(14-12-18)22(29)16-32-24(31)20-15-21(17-7-3-1-4-8-17)28(26-20)19-9-5-2-6-10-19/h1-10,18,21H,11-16H2,(H2,25,30).
What are the key properties of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 434.50 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 55569344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).