1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-methoxypropan-1-one

C19H27FN2O2 — CID 97449568

IUPAC1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC2(CCN(Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C19H27FN2O2/c1-24-12-5-18(23)22-11-8-19(15-22)6-9-21(10-7-19)14-16-3-2-4-17(20)13-16/h2-4,13H,5-12,14-15H2,1H3
InChIKeyKDAZPOAKQPHFIU-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.68
Rot. Bonds5

About 1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-methoxypropan-1-one

1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-methoxypropan-1-one (PubChem CID 97449568) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-methoxypropan-1-one
PubChem CID97449568
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC Name1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC2(CCN(Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C19H27FN2O2/c1-24-12-5-18(23)22-11-8-19(15-22)6-9-21(10-7-19)14-16-3-2-4-17(20)13-16/h2-4,13H,5-12,14-15H2,1H3
InChIKeyKDAZPOAKQPHFIU-UHFFFAOYSA-N
XLogP2.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-methoxypropan-1-one (CID 97449568) is 1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCC2(CCN(Cc3cccc(F)c3)CC2)C1.
What is the InChIKey of 1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-methoxypropan-1-one?
The InChIKey is KDAZPOAKQPHFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-24-12-5-18(23)22-11-8-19(15-22)6-9-21(10-7-19)14-16-3-2-4-17(20)13-16/h2-4,13H,5-12,14-15H2,1H3.
What are the key properties of 1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-methoxypropan-1-one?
1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-methoxypropan-1-one has a molecular weight of 334.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 97449568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).