2-(1-methylpyrazol-3-yl)-8-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-1-one

C20H24N4O2 — CID 131688355

IUPAC2-(1-methylpyrazol-3-yl)-8-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1ccc(N2CCC3(CCN(C(=O)Cc4ccccc4)CC3)C2=O)n1
InChIInChI=1S/C20H24N4O2/c1-22-11-7-17(21-22)24-14-10-20(19(24)26)8-12-23(13-9-20)18(25)15-16-5-3-2-4-6-16/h2-7,11H,8-10,12-15H2,1H3
InChIKeyXMAYLDWEABOTRJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.01
Rot. Bonds3

About 2-(1-methylpyrazol-3-yl)-8-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-1-one

2-(1-methylpyrazol-3-yl)-8-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 131688355) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-8-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-8-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID131688355
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-(1-methylpyrazol-3-yl)-8-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1ccc(N2CCC3(CCN(C(=O)Cc4ccccc4)CC3)C2=O)n1
InChIInChI=1S/C20H24N4O2/c1-22-11-7-17(21-22)24-14-10-20(19(24)26)8-12-23(13-9-20)18(25)15-16-5-3-2-4-6-16/h2-7,11H,8-10,12-15H2,1H3
InChIKeyXMAYLDWEABOTRJ-UHFFFAOYSA-N
XLogP2.01
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688528
2-(2-methoxyethyl)-9-(2-phenylacetyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131680101
4-methyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 110097823
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
2-methyl-7-[2-(1-methylpyrazol-3-yl)acetyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131679626
8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688476
2-[4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-8-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 58478448
(3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 124955540
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
(5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97109908
3-ethyl-1-(2-phenylacetyl)piperidin-4-one
CID 114508365
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-8-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-8-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-1-one (CID 131688355) is 2-(1-methylpyrazol-3-yl)-8-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-8-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-8-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-1-one is Cn1ccc(N2CCC3(CCN(C(=O)Cc4ccccc4)CC3)C2=O)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-8-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is XMAYLDWEABOTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-22-11-7-17(21-22)24-14-10-20(19(24)26)8-12-23(13-9-20)18(25)15-16-5-3-2-4-6-16/h2-7,11H,8-10,12-15H2,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-8-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-1-one?
2-(1-methylpyrazol-3-yl)-8-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 352.44 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-8-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131688355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).