2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-(furan-2-ylmethyl)acetamide

C22H24N2O6 — CID 3244598

IUPAC2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)NCc3ccco3)ccc1O2
InChIInChI=1S/C22H24N2O6/c1-15(25)24-8-6-22(7-9-24)12-19(26)18-11-16(4-5-20(18)30-22)29-14-21(27)23-13-17-3-2-10-28-17/h2-5,10-11H,6-9,12-14H2,1H3,(H,23,27)
InChIKeyHZHVWDNZFQSFGN-UHFFFAOYSA-N
MW412.44 g/mol
LogP2.32
Rot. Bonds5

About 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-(furan-2-ylmethyl)acetamide

2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-(furan-2-ylmethyl)acetamide (PubChem CID 3244598) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-(furan-2-ylmethyl)acetamide
PubChem CID3244598
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)NCc3ccco3)ccc1O2
InChIInChI=1S/C22H24N2O6/c1-15(25)24-8-6-22(7-9-24)12-19(26)18-11-16(4-5-20(18)30-22)29-14-21(27)23-13-17-3-2-10-28-17/h2-5,10-11H,6-9,12-14H2,1H3,(H,23,27)
InChIKeyHZHVWDNZFQSFGN-UHFFFAOYSA-N
XLogP2.32
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-(furan-2-ylmethyl)acetamide (CID 3244598) is 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-(furan-2-ylmethyl)acetamide is CC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)NCc3ccco3)ccc1O2.
What is the InChIKey of 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-(furan-2-ylmethyl)acetamide?
The InChIKey is HZHVWDNZFQSFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-15(25)24-8-6-22(7-9-24)12-19(26)18-11-16(4-5-20(18)30-22)29-14-21(27)23-13-17-3-2-10-28-17/h2-5,10-11H,6-9,12-14H2,1H3,(H,23,27).
What are the key properties of 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-(furan-2-ylmethyl)acetamide?
2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-(furan-2-ylmethyl)acetamide has a molecular weight of 412.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3244598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).