3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one

C22H22N2O4 — CID 90565722

IUPAC3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C22H22N2O4/c25-20(15-24-17-6-2-4-8-19(17)27-21(24)26)23-13-11-22(12-14-23)10-9-16-5-1-3-7-18(16)28-22/h1-8H,9-15H2
InChIKeyLVNCRHBCMZHTOH-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.98
Rot. Bonds2

About 3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one

3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one (PubChem CID 90565722) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one
PubChem CID90565722
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C22H22N2O4/c25-20(15-24-17-6-2-4-8-19(17)27-21(24)26)23-13-11-22(12-14-23)10-9-16-5-1-3-7-18(16)28-22/h1-8H,9-15H2
InChIKeyLVNCRHBCMZHTOH-UHFFFAOYSA-N
XLogP2.98
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2093488
3-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 35609884
3-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 42898182
3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 79029576
3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 71786887
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 99838523
3-cyclopropyl-1-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 126852915
3-[2-oxo-2-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 91818382
3-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 17402349
3-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 31605213
3-[2-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 122343474
5-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one
CID 90565518

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one (CID 90565722) is 3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one is O=C(Cn1c(=O)oc2ccccc21)N1CCC2(CCc3ccccc3O2)CC1.
What is the InChIKey of 3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one?
The InChIKey is LVNCRHBCMZHTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-20(15-24-17-6-2-4-8-19(17)27-21(24)26)23-13-11-22(12-14-23)10-9-16-5-1-3-7-18(16)28-22/h1-8H,9-15H2.
What are the key properties of 3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one?
3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one has a molecular weight of 378.43 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 90565722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).