5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide

C21H24N6O2 — CID 175951072

IUPAC5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide
SMILESNC(=O)CCCC(=O)N1CCC(n2cc(-c3cnc4ccccc4n3)cn2)CC1
InChIInChI=1S/C21H24N6O2/c22-20(28)6-3-7-21(29)26-10-8-16(9-11-26)27-14-15(12-24-27)19-13-23-17-4-1-2-5-18(17)25-19/h1-2,4-5,12-14,16H,3,6-11H2,(H2,22,28)
InChIKeyHSCWPJMONYDQCN-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.31
Rot. Bonds6

About 5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide

5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide (PubChem CID 175951072) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide.

Molecular Properties

Compound Name5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide
PubChem CID175951072
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide
SMILESNC(=O)CCCC(=O)N1CCC(n2cc(-c3cnc4ccccc4n3)cn2)CC1
InChIInChI=1S/C21H24N6O2/c22-20(28)6-3-7-21(29)26-10-8-16(9-11-26)27-14-15(12-24-27)19-13-23-17-4-1-2-5-18(17)25-19/h1-2,4-5,12-14,16H,3,6-11H2,(H2,22,28)
InChIKeyHSCWPJMONYDQCN-UHFFFAOYSA-N
XLogP2.31
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone
CID 170778313
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[[5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentyl]amino]isoindole-1,3-dione
CID 166995042
3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine
CID 170778255
3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]aniline
CID 166992967
[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate
CID 175468049
2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol
CID 169092645
2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline
CID 170778013
tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate
CID 169092427
2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline
CID 169092637
2-(2,6-dioxopiperidin-3-yl)-5-[[6-oxo-6-[4-(4-quinolin-2-ylpyrazol-1-yl)piperidin-1-yl]hexyl]amino]isoindole-1,3-dione
CID 166994659
3-[6-[6-[4-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]piperidin-1-yl]-6-oxohexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166994176
tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane
CID 169092397

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide?
The IUPAC name of 5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide (CID 175951072) is 5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide.
What is the SMILES notation for 5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide?
The canonical SMILES for 5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide is NC(=O)CCCC(=O)N1CCC(n2cc(-c3cnc4ccccc4n3)cn2)CC1.
What is the InChIKey of 5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide?
The InChIKey is HSCWPJMONYDQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c22-20(28)6-3-7-21(29)26-10-8-16(9-11-26)27-14-15(12-24-27)19-13-23-17-4-1-2-5-18(17)25-19/h1-2,4-5,12-14,16H,3,6-11H2,(H2,22,28).
What are the key properties of 5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide?
5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide has a molecular weight of 392.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide is sourced from PubChem (CID 175951072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).