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

C18H26FN3O2 — CID 91922144

IUPAC1-[8-[(3-fluoro-4-pyridinyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(Cc1ccncc1F)CC2
InChIInChI=1S/C18H26FN3O2/c1-14(23)22-11-16(12-24-2)18(13-22)4-7-21(8-5-18)10-15-3-6-20-9-17(15)19/h3,6,9,16H,4-5,7-8,10-13H2,1-2H3
InChIKeyCZGFKFJGAIMBHG-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.93
Rot. Bonds4

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

1-[8-[(3-fluoro-4-pyridinyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91922144) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-[8-[(3-fluoro-4-pyridinyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[8-[(3-fluoro-4-pyridinyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID91922144
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name1-[8-[(3-fluoro-4-pyridinyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(Cc1ccncc1F)CC2
InChIInChI=1S/C18H26FN3O2/c1-14(23)22-11-16(12-24-2)18(13-22)4-7-21(8-5-18)10-15-3-6-20-9-17(15)19/h3,6,9,16H,4-5,7-8,10-13H2,1-2H3
InChIKeyCZGFKFJGAIMBHG-UHFFFAOYSA-N
XLogP1.93
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[(3-fluoro-4-pyridinyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[8-[(3-fluoro-4-pyridinyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 91922144) is 1-[8-[(3-fluoro-4-pyridinyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[8-[(3-fluoro-4-pyridinyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[8-[(3-fluoro-4-pyridinyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is COCC1CN(C(C)=O)CC12CCN(Cc1ccncc1F)CC2.
What is the InChIKey of 1-[8-[(3-fluoro-4-pyridinyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is CZGFKFJGAIMBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-14(23)22-11-16(12-24-2)18(13-22)4-7-21(8-5-18)10-15-3-6-20-9-17(15)19/h3,6,9,16H,4-5,7-8,10-13H2,1-2H3.
What are the key properties of 1-[8-[(3-fluoro-4-pyridinyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[8-[(3-fluoro-4-pyridinyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 335.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(3-fluoro-4-pyridinyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 91922144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).