8-benzyl-6-hydroxy-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one

C21H26N2O3 — CID 86709521

IUPAC8-benzyl-6-hydroxy-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCN(Cc4ccccc4)CC3O)C2=O)CCC1=O
InChIInChI=1S/C21H26N2O3/c1-15-17(7-8-18(15)24)23-12-10-21(20(23)26)9-11-22(14-19(21)25)13-16-5-3-2-4-6-16/h2-6,19,25H,7-14H2,1H3
InChIKeyQXLFJRGRTWEFRY-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.11
Rot. Bonds3

About 8-benzyl-6-hydroxy-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one

8-benzyl-6-hydroxy-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 86709521) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 8-benzyl-6-hydroxy-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-benzyl-6-hydroxy-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID86709521
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name8-benzyl-6-hydroxy-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCN(Cc4ccccc4)CC3O)C2=O)CCC1=O
InChIInChI=1S/C21H26N2O3/c1-15-17(7-8-18(15)24)23-12-10-21(20(23)26)9-11-22(14-19(21)25)13-16-5-3-2-4-6-16/h2-6,19,25H,7-14H2,1H3
InChIKeyQXLFJRGRTWEFRY-UHFFFAOYSA-N
XLogP2.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10751244
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CID 69059860
6-benzyl-6-azaspiro[2.5]octan-8-ol
CID 66783213
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
(4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one
CID 10776768
ethyl 4-(2-aminoethyl)-1-benzyl-3-hydroxypiperidine-4-carboxylate
CID 86709519
1-[(3S,4S)-1-benzyl-4-hydroxy-4-methylpiperidin-3-yl]ethanone
CID 54122548
1-benzyl-3-methylpiperidin-4-one
CID 560965
(5S,9S)-7-benzyl-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471686
9-benzyl-11-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 132941699
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-hydroxy-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-benzyl-6-hydroxy-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 86709521) is 8-benzyl-6-hydroxy-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-benzyl-6-hydroxy-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-benzyl-6-hydroxy-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one is CC1=C(N2CCC3(CCN(Cc4ccccc4)CC3O)C2=O)CCC1=O.
What is the InChIKey of 8-benzyl-6-hydroxy-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is QXLFJRGRTWEFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-17(7-8-18(15)24)23-12-10-21(20(23)26)9-11-22(14-19(21)25)13-16-5-3-2-4-6-16/h2-6,19,25H,7-14H2,1H3.
What are the key properties of 8-benzyl-6-hydroxy-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
8-benzyl-6-hydroxy-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 354.45 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-hydroxy-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 86709521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).