8-[(2,3-difluorophenyl)methyl]-2-[(2,6-difluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,7-dione

C23H22F4N2O2 — CID 170312147

IUPAC8-[(2,3-difluorophenyl)methyl]-2-[(2,6-difluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,7-dione
SMILESO=C1N(Cc2cccc(F)c2F)CCCC12CCCN(Cc1c(F)cccc1F)C2=O
InChIInChI=1S/C23H22F4N2O2/c24-17-6-2-7-18(25)16(17)14-29-12-4-10-23(22(29)31)9-3-11-28(21(23)30)13-15-5-1-8-19(26)20(15)27/h1-2,5-8H,3-4,9-14H2
InChIKeyXUDGNXHTMGLAGB-UHFFFAOYSA-N
MW434.43 g/mol
LogP4.17
Rot. Bonds4

About 8-[(2,3-difluorophenyl)methyl]-2-[(2,6-difluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,7-dione

8-[(2,3-difluorophenyl)methyl]-2-[(2,6-difluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,7-dione (PubChem CID 170312147) has the molecular formula C23H22F4N2O2 and a molecular weight of 434.43 g/mol. Its IUPAC name is 8-[(2,3-difluorophenyl)methyl]-2-[(2,6-difluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,7-dione.

Molecular Properties

Compound Name8-[(2,3-difluorophenyl)methyl]-2-[(2,6-difluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,7-dione
PubChem CID170312147
Molecular FormulaC23H22F4N2O2
Molecular Weight434.43 g/mol
Exact Mass434.16
IUPAC Name8-[(2,3-difluorophenyl)methyl]-2-[(2,6-difluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,7-dione
SMILESO=C1N(Cc2cccc(F)c2F)CCCC12CCCN(Cc1c(F)cccc1F)C2=O
InChIInChI=1S/C23H22F4N2O2/c24-17-6-2-7-18(25)16(17)14-29-12-4-10-23(22(29)31)9-3-11-28(21(23)30)13-15-5-1-8-19(26)20(15)27/h1-2,5-8H,3-4,9-14H2
InChIKeyXUDGNXHTMGLAGB-UHFFFAOYSA-N
XLogP4.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[(2,3-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide
CID 71816096
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
CID 45245843
(5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 25372789
(5R)-2-cyclobutyl-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42526301
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(2-hydroxyethylamino)methyl]piperidin-2-one
CID 56702000
(3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one
CID 42364334
(5S)-7-[(2,3-difluorophenyl)methyl]-2-(3-methylbutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42392250
(5R)-7-[(2,3-difluorophenyl)methyl]-2-(3-methylbutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42392252
(5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126451477
(5S)-7-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126426622
(5S)-7-[(2,3-difluorophenyl)methyl]-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25454216
(3S)-1-[(2,3-difluorophenyl)methyl]-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxypiperidin-2-one
CID 42509603

Frequently Asked Questions

What is the IUPAC name of 8-[(2,3-difluorophenyl)methyl]-2-[(2,6-difluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,7-dione?
The IUPAC name of 8-[(2,3-difluorophenyl)methyl]-2-[(2,6-difluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,7-dione (CID 170312147) is 8-[(2,3-difluorophenyl)methyl]-2-[(2,6-difluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,7-dione.
What is the SMILES notation for 8-[(2,3-difluorophenyl)methyl]-2-[(2,6-difluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,7-dione?
The canonical SMILES for 8-[(2,3-difluorophenyl)methyl]-2-[(2,6-difluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,7-dione is O=C1N(Cc2cccc(F)c2F)CCCC12CCCN(Cc1c(F)cccc1F)C2=O.
What is the InChIKey of 8-[(2,3-difluorophenyl)methyl]-2-[(2,6-difluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,7-dione?
The InChIKey is XUDGNXHTMGLAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N2O2/c24-17-6-2-7-18(25)16(17)14-29-12-4-10-23(22(29)31)9-3-11-28(21(23)30)13-15-5-1-8-19(26)20(15)27/h1-2,5-8H,3-4,9-14H2.
What are the key properties of 8-[(2,3-difluorophenyl)methyl]-2-[(2,6-difluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,7-dione?
8-[(2,3-difluorophenyl)methyl]-2-[(2,6-difluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,7-dione has a molecular weight of 434.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,3-difluorophenyl)methyl]-2-[(2,6-difluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,7-dione is sourced from PubChem (CID 170312147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).