8-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C21H24N4O2 — CID 10808772

IUPAC8-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(CC1COc3cnccc31)CC2
InChIInChI=1S/C21H24N4O2/c26-20-21(25(15-23-20)17-4-2-1-3-5-17)7-10-24(11-8-21)13-16-14-27-19-12-22-9-6-18(16)19/h1-6,9,12,16H,7-8,10-11,13-15H2,(H,23,26)
InChIKeyKJJOTSCSGIBTEZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.99
Rot. Bonds3

About 8-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 10808772) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 8-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID10808772
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name8-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(CC1COc3cnccc31)CC2
InChIInChI=1S/C21H24N4O2/c26-20-21(25(15-23-20)17-4-2-1-3-5-17)7-10-24(11-8-21)13-16-14-27-19-12-22-9-6-18(16)19/h1-6,9,12,16H,7-8,10-11,13-15H2,(H,23,26)
InChIKeyKJJOTSCSGIBTEZ-UHFFFAOYSA-N
XLogP1.99
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 10808772) is 8-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(CC1COc3cnccc31)CC2.
What is the InChIKey of 8-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is KJJOTSCSGIBTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20-21(25(15-23-20)17-4-2-1-3-5-17)7-10-24(11-8-21)13-16-14-27-19-12-22-9-6-18(16)19/h1-6,9,12,16H,7-8,10-11,13-15H2,(H,23,26).
What are the key properties of 8-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 364.45 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 10808772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).