8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one

C16H18F2N2O3 — CID 90653687

IUPAC8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)N1
InChIInChI=1S/C16H18F2N2O3/c17-15(18)23-12-3-1-11(2-4-12)14(22)20-9-7-16(8-10-20)6-5-13(21)19-16/h1-4,15H,5-10H2,(H,19,21)
InChIKeyHRBUWDLNZRETEB-UHFFFAOYSA-N
MW324.33 g/mol
LogP2.17
Rot. Bonds3

About 8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one

8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 90653687) has the molecular formula C16H18F2N2O3 and a molecular weight of 324.33 g/mol. Its IUPAC name is 8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID90653687
Molecular FormulaC16H18F2N2O3
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)N1
InChIInChI=1S/C16H18F2N2O3/c17-15(18)23-12-3-1-11(2-4-12)14(22)20-9-7-16(8-10-20)6-5-13(21)19-16/h1-4,15H,5-10H2,(H,19,21)
InChIKeyHRBUWDLNZRETEB-UHFFFAOYSA-N
XLogP2.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 38387477
9-[4-(difluoromethoxy)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162631631
(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 63390547
[4-(difluoromethoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559882
[4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 63397857
[1-[4-(difluoromethoxy)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026644
8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one
CID 77094670
2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one
CID 137456015
[4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone
CID 124757608
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 27757610
[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251080
2-[4-(4-tert-butylphenyl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one
CID 137456160

Frequently Asked Questions

What is the IUPAC name of 8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one (CID 90653687) is 8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)N1.
What is the InChIKey of 8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HRBUWDLNZRETEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O3/c17-15(18)23-12-3-1-11(2-4-12)14(22)20-9-7-16(8-10-20)6-5-13(21)19-16/h1-4,15H,5-10H2,(H,19,21).
What are the key properties of 8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one?
8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 324.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 90653687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).