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

C24H25NO3 — CID 170507797

IUPAC6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C24H25NO3/c1-16-15-20(18-6-4-7-18)28-23(27)21(16)22(26)25-13-11-24(12-14-25)10-9-17-5-2-3-8-19(17)24/h2-3,5,8-10,15,18H,4,6-7,11-14H2,1H3
InChIKeyHONCAPZVBNHELS-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.42
Rot. Bonds2

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

6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one (PubChem CID 170507797) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one.

Molecular Properties

Compound Name6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one
PubChem CID170507797
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C24H25NO3/c1-16-15-20(18-6-4-7-18)28-23(27)21(16)22(26)25-13-11-24(12-14-25)10-9-17-5-2-3-8-19(17)24/h2-3,5,8-10,15,18H,4,6-7,11-14H2,1H3
InChIKeyHONCAPZVBNHELS-UHFFFAOYSA-N
XLogP4.42
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclobutyl-3-{[3-(3,5-difluorobenzyl)-1-pyrrolidinyl]carbonyl}-4-methyl-2H-pyran-2-one
CID 170504173
3-[(3,3-difluoro-1-piperidinyl)carbonyl]-4-methyl-6-(2-phenylethyl)-2H-pyran-2-one
CID 170505486
4-methyl-6-(3-phenylpropyl)-3-{[4-(trifluoromethyl)-1-piperidinyl]carbonyl}-2H-pyran-2-one
CID 170506788
3-[(4,4-difluoro-1-piperidinyl)carbonyl]-4-methyl-6-(2-phenylethyl)-2H-pyran-2-one
CID 170508019
6-cyclobutyl-3-{[2-(4-fluorophenyl)-1-piperidinyl]carbonyl}-4-methyl-2H-pyran-2-one
CID 170508198
3-[(4,4-difluoro-1-piperidinyl)carbonyl]-4-methyl-6-(3-phenylpropyl)-2H-pyran-2-one
CID 170511654
3-[(3,3-difluoro-1-piperidinyl)carbonyl]-4-methyl-6-(3-phenylpropyl)-2H-pyran-2-one
CID 170513045
5-(4-Benzylpiperidine-1-carbonyl)-4,6-dimethylpyran-2-one
CID 110699321
4-methyl-6-(4-piperidinyl)-3-(1'H-spiro[indene-1,4'-piperidin]-1'-ylcarbonyl)-2H-pyran-2-one hydrochloride
CID 168462025
4-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxo-6-(4-piperidinyl)-2H-pyran-3-carboxamide hydrochloride
CID 168471694
3-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-4-methyl-6-(1-methylbutyl)-2H-pyran-2-one
CID 169414160
4-methyl-3-(1'H-spiro[indene-1,4'-piperidin]-1'-ylcarbonyl)-6-(tetrahydro-2-furanyl)-2H-pyran-2-one
CID 169418053

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one?
The IUPAC name of 6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one (CID 170507797) is 6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one.
What is the SMILES notation for 6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one?
The canonical SMILES for 6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one is Cc1cc(C2CCC2)oc(=O)c1C(=O)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of 6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one?
The InChIKey is HONCAPZVBNHELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-16-15-20(18-6-4-7-18)28-23(27)21(16)22(26)25-13-11-24(12-14-25)10-9-17-5-2-3-8-19(17)24/h2-3,5,8-10,15,18H,4,6-7,11-14H2,1H3.
What are the key properties of 6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one?
6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one has a molecular weight of 375.47 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one is sourced from PubChem (CID 170507797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).