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

C15H22N4O2 — CID 70720442

IUPAC8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCC(C(=O)N1CCC2(CC1)CNC(=O)C2)n1cccn1
InChIInChI=1S/C15H22N4O2/c1-2-12(19-7-3-6-17-19)14(21)18-8-4-15(5-9-18)10-13(20)16-11-15/h3,6-7,12H,2,4-5,8-11H2,1H3,(H,16,20)
InChIKeySMRPVKIWLNMAGR-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.96
Rot. Bonds3

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

8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70720442) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70720442
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCC(C(=O)N1CCC2(CC1)CNC(=O)C2)n1cccn1
InChIInChI=1S/C15H22N4O2/c1-2-12(19-7-3-6-17-19)14(21)18-8-4-15(5-9-18)10-13(20)16-11-15/h3,6-7,12H,2,4-5,8-11H2,1H3,(H,16,20)
InChIKeySMRPVKIWLNMAGR-UHFFFAOYSA-N
XLogP0.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethyl)-9-(2-pyrazol-1-ylbutanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72846712
8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 72848540
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
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
1'-(2-pyrazol-1-ylbutanoyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
CID 164695218
1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylbutan-1-one
CID 72891975
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
8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one
CID 107989904
1-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-pyrazol-1-ylbutan-1-one
CID 163318262

Frequently Asked Questions

What is the IUPAC name of 8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one (CID 70720442) is 8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one is CCC(C(=O)N1CCC2(CC1)CNC(=O)C2)n1cccn1.
What is the InChIKey of 8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SMRPVKIWLNMAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-12(19-7-3-6-17-19)14(21)18-8-4-15(5-9-18)10-13(20)16-11-15/h3,6-7,12H,2,4-5,8-11H2,1H3,(H,16,20).
What are the key properties of 8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70720442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).