[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

C19H22F2N4O2 — CID 45251888

IUPAC[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1nonc1C(=O)N1CCC2(CCCN(Cc3ccc(F)c(F)c3)C2)C1
InChIInChI=1S/C19H22F2N4O2/c1-13-17(23-27-22-13)18(26)25-8-6-19(12-25)5-2-7-24(11-19)10-14-3-4-15(20)16(21)9-14/h3-4,9H,2,5-8,10-12H2,1H3
InChIKeySLQDNBYJPBMTLT-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.78
Rot. Bonds3

About [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (PubChem CID 45251888) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
PubChem CID45251888
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1nonc1C(=O)N1CCC2(CCCN(Cc3ccc(F)c(F)c3)C2)C1
InChIInChI=1S/C19H22F2N4O2/c1-13-17(23-27-22-13)18(26)25-8-6-19(12-25)5-2-7-24(11-19)10-14-3-4-15(20)16(21)9-14/h3-4,9H,2,5-8,10-12H2,1H3
InChIKeySLQDNBYJPBMTLT-UHFFFAOYSA-N
XLogP2.78
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The IUPAC name of [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (CID 45251888) is [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.
What is the SMILES notation for [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The canonical SMILES for [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is Cc1nonc1C(=O)N1CCC2(CCCN(Cc3ccc(F)c(F)c3)C2)C1.
What is the InChIKey of [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The InChIKey is SLQDNBYJPBMTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-13-17(23-27-22-13)18(26)25-8-6-19(12-25)5-2-7-24(11-19)10-14-3-4-15(20)16(21)9-14/h3-4,9H,2,5-8,10-12H2,1H3.
What are the key properties of [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone has a molecular weight of 376.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is sourced from PubChem (CID 45251888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).