9-(furan-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

C19H21N3O3 — CID 118742833

IUPAC9-(furan-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C(c1ccoc1)N1CCCC2(CCC(=O)N2Cc2ccncc2)C1
InChIInChI=1S/C19H21N3O3/c23-17-2-7-19(22(17)12-15-3-8-20-9-4-15)6-1-10-21(14-19)18(24)16-5-11-25-13-16/h3-5,8-9,11,13H,1-2,6-7,10,12,14H2
InChIKeyXQBWNYMPKLAZPL-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.47
Rot. Bonds3

About 9-(furan-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

9-(furan-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 118742833) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 9-(furan-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-(furan-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID118742833
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name9-(furan-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C(c1ccoc1)N1CCCC2(CCC(=O)N2Cc2ccncc2)C1
InChIInChI=1S/C19H21N3O3/c23-17-2-7-19(22(17)12-15-3-8-20-9-4-15)6-1-10-21(14-19)18(24)16-5-11-25-13-16/h3-5,8-9,11,13H,1-2,6-7,10,12,14H2
InChIKeyXQBWNYMPKLAZPL-UHFFFAOYSA-N
XLogP2.47
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(furan-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-(furan-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 118742833) is 9-(furan-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-(furan-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-(furan-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is O=C(c1ccoc1)N1CCCC2(CCC(=O)N2Cc2ccncc2)C1.
What is the InChIKey of 9-(furan-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is XQBWNYMPKLAZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-17-2-7-19(22(17)12-15-3-8-20-9-4-15)6-1-10-21(14-19)18(24)16-5-11-25-13-16/h3-5,8-9,11,13H,1-2,6-7,10,12,14H2.
What are the key properties of 9-(furan-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
9-(furan-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 339.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(furan-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118742833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).