carbon dioxide;1-(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(6-methyl-2-pyridinyl)ethanone

C22H23FN2O4 — CID 160756879

IUPACcarbon dioxide;1-(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cccc(CC(=O)N2CCC3(CCc4ccc(F)cc4O3)CC2)n1.O=C=O
InChIInChI=1S/C21H23FN2O2.CO2/c1-15-3-2-4-18(23-15)14-20(25)24-11-9-21(10-12-24)8-7-16-5-6-17(22)13-19(16)26-21;2-1-3/h2-6,13H,7-12,14H2,1H3;
InChIKeyRXNXPVSUCMHGOM-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.87
Rot. Bonds2

About carbon dioxide;1-(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(6-methyl-2-pyridinyl)ethanone

carbon dioxide;1-(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(6-methyl-2-pyridinyl)ethanone (PubChem CID 160756879) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is carbon dioxide;1-(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(6-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Namecarbon dioxide;1-(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(6-methyl-2-pyridinyl)ethanone
PubChem CID160756879
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Namecarbon dioxide;1-(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cccc(CC(=O)N2CCC3(CCc4ccc(F)cc4O3)CC2)n1.O=C=O
InChIInChI=1S/C21H23FN2O2.CO2/c1-15-3-2-4-18(23-15)14-20(25)24-11-9-21(10-12-24)8-7-16-5-6-17(22)13-19(16)26-21;2-1-3/h2-6,13H,7-12,14H2,1H3;
InChIKeyRXNXPVSUCMHGOM-UHFFFAOYSA-N
XLogP2.87
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(6-methyl-2-pyridinyl)ethanone?
The IUPAC name of carbon dioxide;1-(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(6-methyl-2-pyridinyl)ethanone (CID 160756879) is carbon dioxide;1-(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(6-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for carbon dioxide;1-(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(6-methyl-2-pyridinyl)ethanone?
The canonical SMILES for carbon dioxide;1-(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(6-methyl-2-pyridinyl)ethanone is Cc1cccc(CC(=O)N2CCC3(CCc4ccc(F)cc4O3)CC2)n1.O=C=O.
What is the InChIKey of carbon dioxide;1-(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(6-methyl-2-pyridinyl)ethanone?
The InChIKey is RXNXPVSUCMHGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2.CO2/c1-15-3-2-4-18(23-15)14-20(25)24-11-9-21(10-12-24)8-7-16-5-6-17(22)13-19(16)26-21;2-1-3/h2-6,13H,7-12,14H2,1H3;.
What are the key properties of carbon dioxide;1-(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(6-methyl-2-pyridinyl)ethanone?
carbon dioxide;1-(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(6-methyl-2-pyridinyl)ethanone has a molecular weight of 398.43 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1-(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 160756879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).