N,N-diethyl-4-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxamide

C21H28N6O4 — CID 46471859

IUPACN,N-diethyl-4-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1
InChIInChI=1S/C21H28N6O4/c1-3-25(4-2)21(31)26-12-10-15(11-13-26)19(29)22-23-20(30)18-17(28)14-27(24-18)16-8-6-5-7-9-16/h5-9,14-15,28H,3-4,10-13H2,1-2H3,(H,22,29)(H,23,30)
InChIKeyGXFUUQSJVVFZPH-UHFFFAOYSA-N
MW428.49 g/mol
LogP1.51
Rot. Bonds5

About N,N-diethyl-4-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxamide

N,N-diethyl-4-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxamide (PubChem CID 46471859) has the molecular formula C21H28N6O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is N,N-diethyl-4-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxamide
PubChem CID46471859
Molecular FormulaC21H28N6O4
Molecular Weight428.49 g/mol
Exact Mass428.22
IUPAC NameN,N-diethyl-4-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1
InChIInChI=1S/C21H28N6O4/c1-3-25(4-2)21(31)26-12-10-15(11-13-26)19(29)22-23-20(30)18-17(28)14-27(24-18)16-8-6-5-7-9-16/h5-9,14-15,28H,3-4,10-13H2,1-2H3,(H,22,29)(H,23,30)
InChIKeyGXFUUQSJVVFZPH-UHFFFAOYSA-N
XLogP1.51
TPSA119.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 51276609
4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
CID 17478623
(4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542663
1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide
CID 46428887
N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46581353
N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17415770
N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 51186275
N-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide
CID 55904023
4-hydroxy-1-phenyl-N'-(thiophene-3-carbonyl)pyrazole-3-carbohydrazide
CID 9452480
N'-[2-(4-chlorophenyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17483063
4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55683199
N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17419223

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxamide (CID 46471859) is N,N-diethyl-4-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxamide is CCN(CC)C(=O)N1CCC(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1.
What is the InChIKey of N,N-diethyl-4-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxamide?
The InChIKey is GXFUUQSJVVFZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O4/c1-3-25(4-2)21(31)26-12-10-15(11-13-26)19(29)22-23-20(30)18-17(28)14-27(24-18)16-8-6-5-7-9-16/h5-9,14-15,28H,3-4,10-13H2,1-2H3,(H,22,29)(H,23,30).
What are the key properties of N,N-diethyl-4-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxamide?
N,N-diethyl-4-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxamide is sourced from PubChem (CID 46471859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).