4-methyl-6-(oxolan-2-yl)-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one

C24H25NO4 — CID 169418053

IUPAC4-methyl-6-(oxolan-2-yl)-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one
SMILESCc1cc(C2CCCO2)oc(=O)c1C(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C24H25NO4/c1-16-15-20(19-7-4-14-28-19)29-23(27)21(16)22(26)25-12-10-24(11-13-25)9-8-17-5-2-3-6-18(17)24/h2-3,5-6,8-9,15,19H,4,7,10-14H2,1H3
InChIKeyKNPDKZPQJFPWLC-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.00
Rot. Bonds2

About 4-methyl-6-(oxolan-2-yl)-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one

4-methyl-6-(oxolan-2-yl)-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one (PubChem CID 169418053) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-methyl-6-(oxolan-2-yl)-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one.

Molecular Properties

Compound Name4-methyl-6-(oxolan-2-yl)-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one
PubChem CID169418053
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name4-methyl-6-(oxolan-2-yl)-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one
SMILESCc1cc(C2CCCO2)oc(=O)c1C(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C24H25NO4/c1-16-15-20(19-7-4-14-28-19)29-23(27)21(16)22(26)25-12-10-24(11-13-25)9-8-17-5-2-3-6-18(17)24/h2-3,5-6,8-9,15,19H,4,7,10-14H2,1H3
InChIKeyKNPDKZPQJFPWLC-UHFFFAOYSA-N
XLogP4.00
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(oxolan-2-yl)-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one?
The IUPAC name of 4-methyl-6-(oxolan-2-yl)-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one (CID 169418053) is 4-methyl-6-(oxolan-2-yl)-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one.
What is the SMILES notation for 4-methyl-6-(oxolan-2-yl)-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one?
The canonical SMILES for 4-methyl-6-(oxolan-2-yl)-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one is Cc1cc(C2CCCO2)oc(=O)c1C(=O)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of 4-methyl-6-(oxolan-2-yl)-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one?
The InChIKey is KNPDKZPQJFPWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-16-15-20(19-7-4-14-28-19)29-23(27)21(16)22(26)25-12-10-24(11-13-25)9-8-17-5-2-3-6-18(17)24/h2-3,5-6,8-9,15,19H,4,7,10-14H2,1H3.
What are the key properties of 4-methyl-6-(oxolan-2-yl)-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one?
4-methyl-6-(oxolan-2-yl)-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one has a molecular weight of 391.47 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(oxolan-2-yl)-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one is sourced from PubChem (CID 169418053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).