9-[(5-propylfuran-2-yl)methyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

C24H33N3O2 — CID 70750685

IUPAC9-[(5-propylfuran-2-yl)methyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1ccc(CN2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)o1
InChIInChI=1S/C24H33N3O2/c1-2-3-21-4-5-22(29-21)18-26-16-11-24(12-17-26)10-6-23(28)27(19-24)15-9-20-7-13-25-14-8-20/h4-5,7-8,13-14H,2-3,6,9-12,15-19H2,1H3
InChIKeyMIXSEAMFKNQTRR-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.07
Rot. Bonds7

About 9-[(5-propylfuran-2-yl)methyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(5-propylfuran-2-yl)methyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70750685) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 9-[(5-propylfuran-2-yl)methyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(5-propylfuran-2-yl)methyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70750685
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name9-[(5-propylfuran-2-yl)methyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1ccc(CN2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)o1
InChIInChI=1S/C24H33N3O2/c1-2-3-21-4-5-22(29-21)18-26-16-11-24(12-17-26)10-6-23(28)27(19-24)15-9-20-7-13-25-14-8-20/h4-5,7-8,13-14H,2-3,6,9-12,15-19H2,1H3
InChIKeyMIXSEAMFKNQTRR-UHFFFAOYSA-N
XLogP4.07
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(5-propylfuran-2-yl)methyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(5-propylfuran-2-yl)methyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70750685) is 9-[(5-propylfuran-2-yl)methyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(5-propylfuran-2-yl)methyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(5-propylfuran-2-yl)methyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is CCCc1ccc(CN2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)o1.
What is the InChIKey of 9-[(5-propylfuran-2-yl)methyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MIXSEAMFKNQTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-2-3-21-4-5-22(29-21)18-26-16-11-24(12-17-26)10-6-23(28)27(19-24)15-9-20-7-13-25-14-8-20/h4-5,7-8,13-14H,2-3,6,9-12,15-19H2,1H3.
What are the key properties of 9-[(5-propylfuran-2-yl)methyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(5-propylfuran-2-yl)methyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 395.55 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-propylfuran-2-yl)methyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70750685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).