8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

C19H22F2N2O2 — CID 72856538

IUPAC8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)C3CC3)CC2)CN1Cc1cc(F)cc(F)c1
InChIInChI=1S/C19H22F2N2O2/c20-15-7-13(8-16(21)9-15)11-23-12-19(10-17(23)24)3-5-22(6-4-19)18(25)14-1-2-14/h7-9,14H,1-6,10-12H2
InChIKeySUFUHQCJIVMNFE-UHFFFAOYSA-N
MW348.39 g/mol
LogP2.72
Rot. Bonds3

About 8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72856538) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72856538
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)C3CC3)CC2)CN1Cc1cc(F)cc(F)c1
InChIInChI=1S/C19H22F2N2O2/c20-15-7-13(8-16(21)9-15)11-23-12-19(10-17(23)24)3-5-22(6-4-19)18(25)14-1-2-14/h7-9,14H,1-6,10-12H2
InChIKeySUFUHQCJIVMNFE-UHFFFAOYSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-difluorophenyl)methyl]-8-pent-3-enoyl-2,8-diazaspiro[4.5]decan-3-one
CID 91940537
2-[(3,5-difluorophenyl)methyl]-8-[(2S)-2-methoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97191342
2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97274757
8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899239
methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate
CID 97130235
8-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72851747
8-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride
CID 154900459
methyl 2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]butanoate
CID 72875092
2-[(3,5-difluorophenyl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride
CID 154897760
2-[(3,5-difluorophenyl)methyl]-8-propylsulfonyl-2,8-diazaspiro[4.5]decan-3-one
CID 72904883
2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686668
8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 98896327

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 72856538) is 8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(C(=O)C3CC3)CC2)CN1Cc1cc(F)cc(F)c1.
What is the InChIKey of 8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SUFUHQCJIVMNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c20-15-7-13(8-16(21)9-15)11-23-12-19(10-17(23)24)3-5-22(6-4-19)18(25)14-1-2-14/h7-9,14H,1-6,10-12H2.
What are the key properties of 8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 348.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72856538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).