3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione

C18H21N5O2 — CID 135273233

IUPAC3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(n2cc(-c3ccc(N4CCNCC4)cc3)cn2)C(=O)N1
InChIInChI=1S/C18H21N5O2/c24-17-6-5-16(18(25)21-17)23-12-14(11-20-23)13-1-3-15(4-2-13)22-9-7-19-8-10-22/h1-4,11-12,16,19H,5-10H2,(H,21,24,25)
InChIKeyQWVLGLMWCCAFSB-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.94
Rot. Bonds3

About 3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione

3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione (PubChem CID 135273233) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione
PubChem CID135273233
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(n2cc(-c3ccc(N4CCNCC4)cc3)cn2)C(=O)N1
InChIInChI=1S/C18H21N5O2/c24-17-6-5-16(18(25)21-17)23-12-14(11-20-23)13-1-3-15(4-2-13)22-9-7-19-8-10-22/h1-4,11-12,16,19H,5-10H2,(H,21,24,25)
InChIKeyQWVLGLMWCCAFSB-UHFFFAOYSA-N
XLogP0.94
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720
3-(4-bromopyrazol-1-yl)piperidine-2,6-dione
CID 135273234
3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]pyrazol-1-yl]piperidine-2,6-dione
CID 167463550
3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride
CID 170749335
5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 171705610
(3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 170706486
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;ethane;prop-1-ene
CID 142368742
3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione
CID 167470171
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
CID 177052728
3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione
CID 171618726
3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione
CID 171618731
3-(1-hydroxy-3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167190475

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione (CID 135273233) is 3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione is O=C1CCC(n2cc(-c3ccc(N4CCNCC4)cc3)cn2)C(=O)N1.
What is the InChIKey of 3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione?
The InChIKey is QWVLGLMWCCAFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17-6-5-16(18(25)21-17)23-12-14(11-20-23)13-1-3-15(4-2-13)22-9-7-19-8-10-22/h1-4,11-12,16,19H,5-10H2,(H,21,24,25).
What are the key properties of 3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione?
3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione has a molecular weight of 339.40 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 135273233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).