2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

C20H26F2N2O2 — CID 70757546

IUPAC2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(CC3CCOC3)CC2)CN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C20H26F2N2O2/c21-17-2-1-15(9-18(17)22)12-24-14-20(10-19(24)25)4-6-23(7-5-20)11-16-3-8-26-13-16/h1-2,9,16H,3-8,10-14H2
InChIKeySHCIIXMZWLZACZ-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.82
Rot. Bonds4

About 2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70757546) has the molecular formula C20H26F2N2O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70757546
Molecular FormulaC20H26F2N2O2
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(CC3CCOC3)CC2)CN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C20H26F2N2O2/c21-17-2-1-15(9-18(17)22)12-24-14-20(10-19(24)25)4-6-23(7-5-20)11-16-3-8-26-13-16/h1-2,9,16H,3-8,10-14H2
InChIKeySHCIIXMZWLZACZ-UHFFFAOYSA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70728701
2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 82930927
2-[(3,4-difluorophenyl)methyl]-8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-3-one
CID 70737867
2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide
CID 70721948
2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97276894
2-[(3,4-difluorophenyl)methyl]-8-(3-methylsulfanylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70721853
8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 59805850
7-[(3,4-difluorophenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 45232194
8-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72851747
2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one
CID 72852011
(5R,7S)-2-[(3,4-difluorophenyl)methyl]-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane
CID 155876672
8-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride
CID 154900459

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one (CID 70757546) is 2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(CC3CCOC3)CC2)CN1Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SHCIIXMZWLZACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O2/c21-17-2-1-15(9-18(17)22)12-24-14-20(10-19(24)25)4-6-23(7-5-20)11-16-3-8-26-13-16/h1-2,9,16H,3-8,10-14H2.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 364.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70757546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).