8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one

C14H19N3O4 — CID 72848540

IUPAC8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESCCC(C(=O)N1CCC2(CC1)COC(=O)O2)n1cccn1
InChIInChI=1S/C14H19N3O4/c1-2-11(17-7-3-6-15-17)12(18)16-8-4-14(5-9-16)10-20-13(19)21-14/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeyAYDMTHNVLVBPBV-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.36
Rot. Bonds3

About 8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one

8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 72848540) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID72848540
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESCCC(C(=O)N1CCC2(CC1)COC(=O)O2)n1cccn1
InChIInChI=1S/C14H19N3O4/c1-2-11(17-7-3-6-15-17)12(18)16-8-4-14(5-9-16)10-20-13(19)21-14/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeyAYDMTHNVLVBPBV-UHFFFAOYSA-N
XLogP1.36
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70720442
8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 126427996
4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile
CID 97140404
1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one
CID 97122726
2-(2-hydroxyethyl)-9-(2-pyrazol-1-ylbutanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72846712
1'-(2-pyrazol-1-ylbutanoyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
CID 164695218
2-[2-(dimethylamino)ethyl]-9-[(2S)-2-pyrazol-1-ylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97112348
9-[(2S)-2-pyrazol-1-ylbutanoyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97134429
1-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-pyrazol-1-ylbutan-1-one
CID 163318262
1-(4-phenyl-1,4-diazepan-1-yl)-2-pyrazol-1-ylbutan-1-one
CID 70733476
1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70724830
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70781977

Frequently Asked Questions

What is the IUPAC name of 8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one (CID 72848540) is 8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one is CCC(C(=O)N1CCC2(CC1)COC(=O)O2)n1cccn1.
What is the InChIKey of 8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is AYDMTHNVLVBPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-11(17-7-3-6-15-17)12(18)16-8-4-14(5-9-16)10-20-13(19)21-14/h3,6-7,11H,2,4-5,8-10H2,1H3.
What are the key properties of 8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 293.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 72848540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).