[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone

C21H28F2N2O2 — CID 91922183

IUPAC[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)c1ccc(F)cc1F)CC2
InChIInChI=1S/C21H28F2N2O2/c1-27-13-15-12-25(17-3-2-4-17)14-21(15)7-9-24(10-8-21)20(26)18-6-5-16(22)11-19(18)23/h5-6,11,15,17H,2-4,7-10,12-14H2,1H3
InChIKeyHWVWQTYSWNNMRQ-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.32
Rot. Bonds4

About [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone

[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone (PubChem CID 91922183) has the molecular formula C21H28F2N2O2 and a molecular weight of 378.46 g/mol. Its IUPAC name is [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone
PubChem CID91922183
Molecular FormulaC21H28F2N2O2
Molecular Weight378.46 g/mol
Exact Mass378.21
IUPAC Name[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)c1ccc(F)cc1F)CC2
InChIInChI=1S/C21H28F2N2O2/c1-27-13-15-12-25(17-3-2-4-17)14-21(15)7-9-24(10-8-21)20(26)18-6-5-16(22)11-19(18)23/h5-6,11,15,17H,2-4,7-10,12-14H2,1H3
InChIKeyHWVWQTYSWNNMRQ-UHFFFAOYSA-N
XLogP3.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 91922221
[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone
CID 91922195
1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 91922207
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,4-difluorophenyl)methanone
CID 45147487
(3aS,6aS)-2-cyclopentyl-5-(2,4-difluorobenzoyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72866439
(3aR,6aR)-2-cyclopentyl-5-(2,4-difluorobenzoyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133135966
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649
N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579518
(3S,4S)-1-(2,4-difluorobenzoyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203593
(4-fluoro-2-methylphenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97476426
(4,5-difluoro-2-methylphenyl)-[(4S,5S)-2-ethyl-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone
CID 124789178

Frequently Asked Questions

What is the IUPAC name of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone (CID 91922183) is [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone is COCC1CN(C2CCC2)CC12CCN(C(=O)c1ccc(F)cc1F)CC2.
What is the InChIKey of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone?
The InChIKey is HWVWQTYSWNNMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2N2O2/c1-27-13-15-12-25(17-3-2-4-17)14-21(15)7-9-24(10-8-21)20(26)18-6-5-16(22)11-19(18)23/h5-6,11,15,17H,2-4,7-10,12-14H2,1H3.
What are the key properties of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone?
[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone has a molecular weight of 378.46 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 91922183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).