[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(2-phenylcyclopropyl)methanone

C26H28F2N2O2 — CID 3796003

IUPAC[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(2-phenylcyclopropyl)methanone
SMILESCc1ccc(F)c(C(=O)N2CCC3(CC2)CCN(C(=O)C2CC2c2ccccc2)C3)c1F
InChIInChI=1S/C26H28F2N2O2/c1-17-7-8-21(27)22(23(17)28)25(32)29-12-9-26(10-13-29)11-14-30(16-26)24(31)20-15-19(20)18-5-3-2-4-6-18/h2-8,19-20H,9-16H2,1H3
InChIKeyGZQRQCQOWHVRHK-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.53
Rot. Bonds3

About [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(2-phenylcyclopropyl)methanone

[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(2-phenylcyclopropyl)methanone (PubChem CID 3796003) has the molecular formula C26H28F2N2O2 and a molecular weight of 438.52 g/mol. Its IUPAC name is [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(2-phenylcyclopropyl)methanone
PubChem CID3796003
Molecular FormulaC26H28F2N2O2
Molecular Weight438.52 g/mol
Exact Mass438.21
IUPAC Name[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(2-phenylcyclopropyl)methanone
SMILESCc1ccc(F)c(C(=O)N2CCC3(CC2)CCN(C(=O)C2CC2c2ccccc2)C3)c1F
InChIInChI=1S/C26H28F2N2O2/c1-17-7-8-21(27)22(23(17)28)25(32)29-12-9-26(10-13-29)11-14-30(16-26)24(31)20-15-19(20)18-5-3-2-4-6-18/h2-8,19-20H,9-16H2,1H3
InChIKeyGZQRQCQOWHVRHK-UHFFFAOYSA-N
XLogP4.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2,6-difluoro-3-methylbenzoyl)-N-(1-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 3491359
[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone
CID 3672244
(5-bromofuran-2-yl)-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 3783937
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 51896883
(2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 82816025
N-[2-oxo-2-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide
CID 74225192
[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 3800992
[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 56875020
(2,6-difluoro-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 82816459
(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone
CID 82814419
1-[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-methyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 3795913
(3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82816396

Frequently Asked Questions

What is the IUPAC name of [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(2-phenylcyclopropyl)methanone?
The IUPAC name of [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(2-phenylcyclopropyl)methanone (CID 3796003) is [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(2-phenylcyclopropyl)methanone?
The canonical SMILES for [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(2-phenylcyclopropyl)methanone is Cc1ccc(F)c(C(=O)N2CCC3(CC2)CCN(C(=O)C2CC2c2ccccc2)C3)c1F.
What is the InChIKey of [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(2-phenylcyclopropyl)methanone?
The InChIKey is GZQRQCQOWHVRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2O2/c1-17-7-8-21(27)22(23(17)28)25(32)29-12-9-26(10-13-29)11-14-30(16-26)24(31)20-15-19(20)18-5-3-2-4-6-18/h2-8,19-20H,9-16H2,1H3.
What are the key properties of [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(2-phenylcyclopropyl)methanone?
[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(2-phenylcyclopropyl)methanone has a molecular weight of 438.52 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 3796003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).