9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

C20H24N4O2 — CID 163308559

IUPAC9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(c1cn[nH]c1)N1CCCC12CCCN(CCc1ccccc1)C2=O
InChIInChI=1S/C20H24N4O2/c25-18(17-14-21-22-15-17)24-12-5-10-20(24)9-4-11-23(19(20)26)13-8-16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H,21,22)
InChIKeyCBAYXRWHPDMCHC-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.25
Rot. Bonds4

About 9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163308559) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163308559
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(c1cn[nH]c1)N1CCCC12CCCN(CCc1ccccc1)C2=O
InChIInChI=1S/C20H24N4O2/c25-18(17-14-21-22-15-17)24-12-5-10-20(24)9-4-11-23(19(20)26)13-8-16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H,21,22)
InChIKeyCBAYXRWHPDMCHC-UHFFFAOYSA-N
XLogP2.25
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-imidazole-5-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633803
1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162626984
1-(2-cyclopentylacetyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628512
9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630199
1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634668
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324
1-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163316192
9-benzyl-1-(3-hydroxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 157015677
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629688
1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628389
9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625491
9-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163316785

Frequently Asked Questions

What is the IUPAC name of 9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (CID 163308559) is 9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is O=C(c1cn[nH]c1)N1CCCC12CCCN(CCc1ccccc1)C2=O.
What is the InChIKey of 9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is CBAYXRWHPDMCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-18(17-14-21-22-15-17)24-12-5-10-20(24)9-4-11-23(19(20)26)13-8-16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H,21,22).
What are the key properties of 9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 352.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163308559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).