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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Related Compounds

2-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 87277639
carbon dioxide;1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(4-methyl-2-pyridinyl)ethanone
CID 158675437
5-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-3-carboxylic acid
CID 67122919
1-(4-fluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one
CID 175317074
1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone
CID 58041425
methyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate
CID 163392738
2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone
CID 90565660
2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 118398594
CID 131847838
CID 131847838
8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 155880152
2-(3-fluorophenyl)-1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110203850
2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 91917976

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).