2,3,4,9-tetramethyl-8-(2-oxo-2-piperidin-1-ylethyl)furo[2,3-f]chromen-7-one

C22H25NO4 — CID 4914357

IUPAC2,3,4,9-tetramethyl-8-(2-oxo-2-piperidin-1-ylethyl)furo[2,3-f]chromen-7-one
SMILESCc1oc2c(c(C)cc3oc(=O)c(CC(=O)N4CCCCC4)c(C)c32)c1C
InChIInChI=1S/C22H25NO4/c1-12-10-17-20(21-19(12)13(2)15(4)26-21)14(3)16(22(25)27-17)11-18(24)23-8-6-5-7-9-23/h10H,5-9,11H2,1-4H3
InChIKeyGPKZXHUWSIUQLB-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.33
Rot. Bonds2

About 2,3,4,9-tetramethyl-8-(2-oxo-2-piperidin-1-ylethyl)furo[2,3-f]chromen-7-one

2,3,4,9-tetramethyl-8-(2-oxo-2-piperidin-1-ylethyl)furo[2,3-f]chromen-7-one (PubChem CID 4914357) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2,3,4,9-tetramethyl-8-(2-oxo-2-piperidin-1-ylethyl)furo[2,3-f]chromen-7-one.

Molecular Properties

Compound Name2,3,4,9-tetramethyl-8-(2-oxo-2-piperidin-1-ylethyl)furo[2,3-f]chromen-7-one
PubChem CID4914357
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name2,3,4,9-tetramethyl-8-(2-oxo-2-piperidin-1-ylethyl)furo[2,3-f]chromen-7-one
SMILESCc1oc2c(c(C)cc3oc(=O)c(CC(=O)N4CCCCC4)c(C)c32)c1C
InChIInChI=1S/C22H25NO4/c1-12-10-17-20(21-19(12)13(2)15(4)26-21)14(3)16(22(25)27-17)11-18(24)23-8-6-5-7-9-23/h10H,5-9,11H2,1-4H3
InChIKeyGPKZXHUWSIUQLB-UHFFFAOYSA-N
XLogP4.33
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(1S,9S)-11-[2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 162985608
5-methoxy-4,7-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)chromen-2-one
CID 4914020
2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 4868974
3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one
CID 4914333
4-methylsulfanyl-2-[[2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)acetyl]amino]butanoic acid
CID 73256698
3-phenyl-2-[[2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)acetyl]amino]propanoic acid
CID 73256609
(3R)-1-[2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]piperidine-3-carboxylic acid
CID 40816082
2,3,5,9-tetramethyl-6-(3-oxo-3-piperidin-1-ylpropyl)furo[3,2-g]chromen-7-one
CID 4914261
1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone
CID 110769594
8-[2-[(1S,2S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-2-oxoethyl]-3,4,9-trimethylfuro[2,3-f]chromen-7-one
CID 154808755
2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride
CID 162318188
2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 142572752

Frequently Asked Questions

What is the IUPAC name of 2,3,4,9-tetramethyl-8-(2-oxo-2-piperidin-1-ylethyl)furo[2,3-f]chromen-7-one?
The IUPAC name of 2,3,4,9-tetramethyl-8-(2-oxo-2-piperidin-1-ylethyl)furo[2,3-f]chromen-7-one (CID 4914357) is 2,3,4,9-tetramethyl-8-(2-oxo-2-piperidin-1-ylethyl)furo[2,3-f]chromen-7-one.
What is the SMILES notation for 2,3,4,9-tetramethyl-8-(2-oxo-2-piperidin-1-ylethyl)furo[2,3-f]chromen-7-one?
The canonical SMILES for 2,3,4,9-tetramethyl-8-(2-oxo-2-piperidin-1-ylethyl)furo[2,3-f]chromen-7-one is Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)N4CCCCC4)c(C)c32)c1C.
What is the InChIKey of 2,3,4,9-tetramethyl-8-(2-oxo-2-piperidin-1-ylethyl)furo[2,3-f]chromen-7-one?
The InChIKey is GPKZXHUWSIUQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-12-10-17-20(21-19(12)13(2)15(4)26-21)14(3)16(22(25)27-17)11-18(24)23-8-6-5-7-9-23/h10H,5-9,11H2,1-4H3.
What are the key properties of 2,3,4,9-tetramethyl-8-(2-oxo-2-piperidin-1-ylethyl)furo[2,3-f]chromen-7-one?
2,3,4,9-tetramethyl-8-(2-oxo-2-piperidin-1-ylethyl)furo[2,3-f]chromen-7-one has a molecular weight of 367.45 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,9-tetramethyl-8-(2-oxo-2-piperidin-1-ylethyl)furo[2,3-f]chromen-7-one is sourced from PubChem (CID 4914357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).