6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one

C24H24N2O4 — CID 108734575

IUPAC6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)Cc3noc4ccc(C)cc34)CC1)O2
InChIInChI=1S/C24H24N2O4/c1-15-4-6-22-17(11-15)19(25-30-22)13-23(28)26-9-7-24(8-10-26)14-20(27)18-12-16(2)3-5-21(18)29-24/h3-6,11-12H,7-10,13-14H2,1-2H3
InChIKeyKCWGEJAFUDHKLL-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.01
Rot. Bonds2

About 6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one

6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108734575) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108734575
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)Cc3noc4ccc(C)cc34)CC1)O2
InChIInChI=1S/C24H24N2O4/c1-15-4-6-22-17(11-15)19(25-30-22)13-23(28)26-9-7-24(8-10-26)14-20(27)18-12-16(2)3-5-21(18)29-24/h3-6,11-12H,7-10,13-14H2,1-2H3
InChIKeyKCWGEJAFUDHKLL-UHFFFAOYSA-N
XLogP4.01
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

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Related Compounds

1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734528
1'-[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735022
6-chloro-1'-[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735309
1'-[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739934
1-(4-chlorophenyl)-4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)butane-1,4-dione
CID 108734581
1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 46960370
6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734544
6,8-dichloro-1'-[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735570
N-ethyl-6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108781779
butyl 6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108734524
6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 90985582
1'-[2-(2,5-dichlorophenoxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757863

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108734575) is 6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)Cc3noc4ccc(C)cc34)CC1)O2.
What is the InChIKey of 6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is KCWGEJAFUDHKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-15-4-6-22-17(11-15)19(25-30-22)13-23(28)26-9-7-24(8-10-26)14-20(27)18-12-16(2)3-5-21(18)29-24/h3-6,11-12H,7-10,13-14H2,1-2H3.
What are the key properties of 6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 404.47 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108734575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).