1-[7-(3,3-difluoro-1-methylcyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-2-[(1-methylimidazol-2-yl)methoxy]ethanone

C19H26F2N4O3 — CID 154773308

IUPAC1-[7-(3,3-difluoro-1-methylcyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-2-[(1-methylimidazol-2-yl)methoxy]ethanone
SMILESCn1ccnc1COCC(=O)N1CC2(CCN(C(=O)C3(C)CC(F)(F)C3)C2)C1
InChIInChI=1S/C19H26F2N4O3/c1-17(9-19(20,21)10-17)16(27)24-5-3-18(11-24)12-25(13-18)15(26)8-28-7-14-22-4-6-23(14)2/h4,6H,3,5,7-13H2,1-2H3
InChIKeyYPPITCJIONLYFE-UHFFFAOYSA-N
MW396.44 g/mol
LogP1.43
Rot. Bonds5

About 1-[7-(3,3-difluoro-1-methylcyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-2-[(1-methylimidazol-2-yl)methoxy]ethanone

1-[7-(3,3-difluoro-1-methylcyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-2-[(1-methylimidazol-2-yl)methoxy]ethanone (PubChem CID 154773308) has the molecular formula C19H26F2N4O3 and a molecular weight of 396.44 g/mol. Its IUPAC name is 1-[7-(3,3-difluoro-1-methylcyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-2-[(1-methylimidazol-2-yl)methoxy]ethanone.

Molecular Properties

Compound Name1-[7-(3,3-difluoro-1-methylcyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-2-[(1-methylimidazol-2-yl)methoxy]ethanone
PubChem CID154773308
Molecular FormulaC19H26F2N4O3
Molecular Weight396.44 g/mol
Exact Mass396.20
IUPAC Name1-[7-(3,3-difluoro-1-methylcyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-2-[(1-methylimidazol-2-yl)methoxy]ethanone
SMILESCn1ccnc1COCC(=O)N1CC2(CCN(C(=O)C3(C)CC(F)(F)C3)C2)C1
InChIInChI=1S/C19H26F2N4O3/c1-17(9-19(20,21)10-17)16(27)24-5-3-18(11-24)12-25(13-18)15(26)8-28-7-14-22-4-6-23(14)2/h4,6H,3,5,7-13H2,1-2H3
InChIKeyYPPITCJIONLYFE-UHFFFAOYSA-N
XLogP1.43
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(3,3-difluoro-1-methylcyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-2-[(1-methylimidazol-2-yl)methoxy]ethanone?
The IUPAC name of 1-[7-(3,3-difluoro-1-methylcyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-2-[(1-methylimidazol-2-yl)methoxy]ethanone (CID 154773308) is 1-[7-(3,3-difluoro-1-methylcyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-2-[(1-methylimidazol-2-yl)methoxy]ethanone.
What is the SMILES notation for 1-[7-(3,3-difluoro-1-methylcyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-2-[(1-methylimidazol-2-yl)methoxy]ethanone?
The canonical SMILES for 1-[7-(3,3-difluoro-1-methylcyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-2-[(1-methylimidazol-2-yl)methoxy]ethanone is Cn1ccnc1COCC(=O)N1CC2(CCN(C(=O)C3(C)CC(F)(F)C3)C2)C1.
What is the InChIKey of 1-[7-(3,3-difluoro-1-methylcyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-2-[(1-methylimidazol-2-yl)methoxy]ethanone?
The InChIKey is YPPITCJIONLYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N4O3/c1-17(9-19(20,21)10-17)16(27)24-5-3-18(11-24)12-25(13-18)15(26)8-28-7-14-22-4-6-23(14)2/h4,6H,3,5,7-13H2,1-2H3.
What are the key properties of 1-[7-(3,3-difluoro-1-methylcyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-2-[(1-methylimidazol-2-yl)methoxy]ethanone?
1-[7-(3,3-difluoro-1-methylcyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-2-[(1-methylimidazol-2-yl)methoxy]ethanone has a molecular weight of 396.44 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(3,3-difluoro-1-methylcyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-2-[(1-methylimidazol-2-yl)methoxy]ethanone is sourced from PubChem (CID 154773308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).