4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one

C24H28N2O5 — CID 170509540

IUPAC4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1cc(CCc2ccccc2)oc(=O)c1C(=O)N1CCC2(CC1)CC(O)CNC2=O
InChIInChI=1S/C24H28N2O5/c1-16-13-19(8-7-17-5-3-2-4-6-17)31-22(29)20(16)21(28)26-11-9-24(10-12-26)14-18(27)15-25-23(24)30/h2-6,13,18,27H,7-12,14-15H2,1H3,(H,25,30)
InChIKeyROYOTZPKSMQQIU-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.84
Rot. Bonds4

About 4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one

4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 170509540) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID170509540
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1cc(CCc2ccccc2)oc(=O)c1C(=O)N1CCC2(CC1)CC(O)CNC2=O
InChIInChI=1S/C24H28N2O5/c1-16-13-19(8-7-17-5-3-2-4-6-17)31-22(29)20(16)21(28)26-11-9-24(10-12-26)14-18(27)15-25-23(24)30/h2-6,13,18,27H,7-12,14-15H2,1H3,(H,25,30)
InChIKeyROYOTZPKSMQQIU-UHFFFAOYSA-N
XLogP1.84
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(4-methyl-1,4-diazepane-1-carbonyl)-6-(2-phenylethyl)pyran-2-one
CID 170507907
4-methyl-6-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)pyran-2-one
CID 170512947
3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-6-(2-phenylethyl)pyran-2-one
CID 170513030
3-[(3S,4S)-3-hydroxy-4-methoxypyrrolidine-1-carbonyl]-4-methyl-6-(2-phenylethyl)pyran-2-one
CID 170507731
4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one
CID 170505167
(1S,6R)-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 170502843
1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide
CID 169415802
methyl 4-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperazine-1-carboxylate
CID 170511945
3-[(3S)-3-ethylmorpholine-4-carbonyl]-4-methyl-6-(2-phenylethyl)pyran-2-one
CID 170504892
3-[4-(4-hydroxybutyl)piperazine-1-carbonyl]-4-methyl-6-(3-phenylpropyl)pyran-2-one
CID 170502679
5-methyl-2-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one
CID 170512549
3-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-4-methyl-6-(3-phenylpropyl)pyran-2-one
CID 170503144

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one (CID 170509540) is 4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one is Cc1cc(CCc2ccccc2)oc(=O)c1C(=O)N1CCC2(CC1)CC(O)CNC2=O.
What is the InChIKey of 4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is ROYOTZPKSMQQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-16-13-19(8-7-17-5-3-2-4-6-17)31-22(29)20(16)21(28)26-11-9-24(10-12-26)14-18(27)15-25-23(24)30/h2-6,13,18,27H,7-12,14-15H2,1H3,(H,25,30).
What are the key properties of 4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one?
4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 424.50 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 170509540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).