1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone

C19H25FN2O4 — CID 91921747

IUPAC1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone
SMILESCC(=O)N1CC(CO)C2(CCN(C(=O)COc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C19H25FN2O4/c1-14(24)22-10-15(11-23)19(13-22)6-8-21(9-7-19)18(25)12-26-17-4-2-16(20)3-5-17/h2-5,15,23H,6-13H2,1H3
InChIKeyUKGNNEUFSYOPGQ-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.28
Rot. Bonds4

About 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone

1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone (PubChem CID 91921747) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone
PubChem CID91921747
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Name1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone
SMILESCC(=O)N1CC(CO)C2(CCN(C(=O)COc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C19H25FN2O4/c1-14(24)22-10-15(11-23)19(13-22)6-8-21(9-7-19)18(25)12-26-17-4-2-16(20)3-5-17/h2-5,15,23H,6-13H2,1H3
InChIKeyUKGNNEUFSYOPGQ-UHFFFAOYSA-N
XLogP1.28
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone with MolForge

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Related Compounds

2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-[2-(4-fluorophenoxy)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146320
2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone
CID 167771023
1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 119727742
1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone
CID 131660815
8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72936310
1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methylphenoxy)ethanone
CID 91921959
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
1-[4-(hydroxymethyl)-8-(1H-pyrrol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91922229
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
2-(4-fluorophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62371982

Frequently Asked Questions

What is the IUPAC name of 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone (CID 91921747) is 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone is CC(=O)N1CC(CO)C2(CCN(C(=O)COc3ccc(F)cc3)CC2)C1.
What is the InChIKey of 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone?
The InChIKey is UKGNNEUFSYOPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c1-14(24)22-10-15(11-23)19(13-22)6-8-21(9-7-19)18(25)12-26-17-4-2-16(20)3-5-17/h2-5,15,23H,6-13H2,1H3.
What are the key properties of 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone?
1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone has a molecular weight of 364.42 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 91921747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).