5-(3-oxo-3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropyl)-1,2-oxazol-3-one

C16H20N4O3 — CID 163319505

IUPAC5-(3-oxo-3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropyl)-1,2-oxazol-3-one
SMILESO=C(CCc1cc(=O)[nH]o1)N1CCCC2(CCc3cn[nH]c32)C1
InChIInChI=1S/C16H20N4O3/c21-13-8-12(23-19-13)2-3-14(22)20-7-1-5-16(10-20)6-4-11-9-17-18-15(11)16/h8-9H,1-7,10H2,(H,17,18)(H,19,21)
InChIKeyKLWMKETYTPLHEL-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.13
Rot. Bonds3

About 5-(3-oxo-3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropyl)-1,2-oxazol-3-one

5-(3-oxo-3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropyl)-1,2-oxazol-3-one (PubChem CID 163319505) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-(3-oxo-3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropyl)-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-(3-oxo-3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropyl)-1,2-oxazol-3-one
PubChem CID163319505
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name5-(3-oxo-3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropyl)-1,2-oxazol-3-one
SMILESO=C(CCc1cc(=O)[nH]o1)N1CCCC2(CCc3cn[nH]c32)C1
InChIInChI=1S/C16H20N4O3/c21-13-8-12(23-19-13)2-3-14(22)20-7-1-5-16(10-20)6-4-11-9-17-18-15(11)16/h8-9H,1-7,10H2,(H,17,18)(H,19,21)
InChIKeyKLWMKETYTPLHEL-UHFFFAOYSA-N
XLogP1.13
TPSA94.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenoxy-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one
CID 138807778
2-(4-methylsulfonylphenyl)-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylethanone
CID 138810637
3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one
CID 138810476
5-[3-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 70784420
(2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138808621
quinoxalin-6-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone
CID 163306044
spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 163307990
(2-methyl-1,3-benzoxazol-6-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 163313939
5-[3-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 70705404
(5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138806087
[3-(1H-pyrazol-4-yl)phenyl]-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 163314428
(4-methylpyrazolo[1,5-a]pyridin-3-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 139599004

Frequently Asked Questions

What is the IUPAC name of 5-(3-oxo-3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropyl)-1,2-oxazol-3-one?
The IUPAC name of 5-(3-oxo-3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropyl)-1,2-oxazol-3-one (CID 163319505) is 5-(3-oxo-3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropyl)-1,2-oxazol-3-one.
What is the SMILES notation for 5-(3-oxo-3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropyl)-1,2-oxazol-3-one?
The canonical SMILES for 5-(3-oxo-3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropyl)-1,2-oxazol-3-one is O=C(CCc1cc(=O)[nH]o1)N1CCCC2(CCc3cn[nH]c32)C1.
What is the InChIKey of 5-(3-oxo-3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropyl)-1,2-oxazol-3-one?
The InChIKey is KLWMKETYTPLHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-13-8-12(23-19-13)2-3-14(22)20-7-1-5-16(10-20)6-4-11-9-17-18-15(11)16/h8-9H,1-7,10H2,(H,17,18)(H,19,21).
What are the key properties of 5-(3-oxo-3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropyl)-1,2-oxazol-3-one?
5-(3-oxo-3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropyl)-1,2-oxazol-3-one has a molecular weight of 316.36 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxo-3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropyl)-1,2-oxazol-3-one is sourced from PubChem (CID 163319505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).