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

C19H27FN2O2 — CID 91922137

IUPAC1-[8-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H27FN2O2/c1-15(23)22-12-17(13-24-2)19(14-22)7-9-21(10-8-19)11-16-3-5-18(20)6-4-16/h3-6,17H,7-14H2,1-2H3
InChIKeyMOHLXCRILULWOJ-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.53
Rot. Bonds4

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

1-[8-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91922137) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-[8-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[8-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID91922137
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC Name1-[8-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H27FN2O2/c1-15(23)22-12-17(13-24-2)19(14-22)7-9-21(10-8-19)11-16-3-5-18(20)6-4-16/h3-6,17H,7-14H2,1-2H3
InChIKeyMOHLXCRILULWOJ-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[8-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 91922137) is 1-[8-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[8-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[8-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is COCC1CN(C(C)=O)CC12CCN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 1-[8-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is MOHLXCRILULWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-15(23)22-12-17(13-24-2)19(14-22)7-9-21(10-8-19)11-16-3-5-18(20)6-4-16/h3-6,17H,7-14H2,1-2H3.
What are the key properties of 1-[8-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[8-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 334.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 91922137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).