2-(3-fluorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone

C19H27FN2O2 — CID 91922042

IUPAC2-(3-fluorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCOCC1CN(C)CC12CCN(C(=O)Cc1cccc(F)c1)CC2
InChIInChI=1S/C19H27FN2O2/c1-21-12-16(13-24-2)19(14-21)6-8-22(9-7-19)18(23)11-15-4-3-5-17(20)10-15/h3-5,10,16H,6-9,11-14H2,1-2H3
InChIKeySLWXCVDMFGRVLA-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.18
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone

2-(3-fluorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone (PubChem CID 91922042) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
PubChem CID91922042
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC Name2-(3-fluorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCOCC1CN(C)CC12CCN(C(=O)Cc1cccc(F)c1)CC2
InChIInChI=1S/C19H27FN2O2/c1-21-12-16(13-24-2)19(14-21)6-8-22(9-7-19)18(23)11-15-4-3-5-17(20)10-15/h3-5,10,16H,6-9,11-14H2,1-2H3
InChIKeySLWXCVDMFGRVLA-UHFFFAOYSA-N
XLogP2.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone (CID 91922042) is 2-(3-fluorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone is COCC1CN(C)CC12CCN(C(=O)Cc1cccc(F)c1)CC2.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is SLWXCVDMFGRVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-21-12-16(13-24-2)19(14-21)6-8-22(9-7-19)18(23)11-15-4-3-5-17(20)10-15/h3-5,10,16H,6-9,11-14H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
2-(3-fluorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 334.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 91922042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).