1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C19H21N5O2 — CID 70778672

IUPAC1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C(c1n[nH]c2c1CCC2)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C19H21N5O2/c25-17(16-12-4-3-7-13(12)22-23-16)24-10-8-19(9-11-24)18(26)20-14-5-1-2-6-15(14)21-19/h1-2,5-6,21H,3-4,7-11H2,(H,20,26)(H,22,23)
InChIKeyFBTVUMJNWYEJCM-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.94
Rot. Bonds1

About 1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70778672) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70778672
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C(c1n[nH]c2c1CCC2)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C19H21N5O2/c25-17(16-12-4-3-7-13(12)22-23-16)24-10-8-19(9-11-24)18(26)20-14-5-1-2-6-15(14)21-19/h1-2,5-6,21H,3-4,7-11H2,(H,20,26)(H,22,23)
InChIKeyFBTVUMJNWYEJCM-UHFFFAOYSA-N
XLogP1.94
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one with MolForge

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Related Compounds

[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 136743815
(4-phenylazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 77090678
spiro[azepane-4,2'-chromene]-1-yl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 50960991
1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70710366
1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 146045100
1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70761308
3,4-dihydro-1H-isoquinolin-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 7694246
1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96578484
(4-pyrimidin-2-ylpiperazin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 110388861
1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70768044
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 126804835
1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70753038

Frequently Asked Questions

What is the IUPAC name of 1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70778672) is 1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is O=C(c1n[nH]c2c1CCC2)N1CCC2(CC1)Nc1ccccc1NC2=O.
What is the InChIKey of 1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is FBTVUMJNWYEJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-17(16-12-4-3-7-13(12)22-23-16)24-10-8-19(9-11-24)18(26)20-14-5-1-2-6-15(14)21-19/h1-2,5-6,21H,3-4,7-11H2,(H,20,26)(H,22,23).
What are the key properties of 1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 351.41 g/mol, XLogP of 1.94, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70778672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).