8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

C18H21N3O2 — CID 131646046

IUPAC8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccncc2)C2(CCN(Cc3ccoc3)CC2)N1
InChIInChI=1S/C18H21N3O2/c22-17-11-16(15-1-6-19-7-2-15)18(20-17)4-8-21(9-5-18)12-14-3-10-23-13-14/h1-3,6-7,10,13,16H,4-5,8-9,11-12H2,(H,20,22)
InChIKeyBVESIXZNAZNAGW-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.31
Rot. Bonds3

About 8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131646046) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131646046
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccncc2)C2(CCN(Cc3ccoc3)CC2)N1
InChIInChI=1S/C18H21N3O2/c22-17-11-16(15-1-6-19-7-2-15)18(20-17)4-8-21(9-5-18)12-14-3-10-23-13-14/h1-3,6-7,10,13,16H,4-5,8-9,11-12H2,(H,20,22)
InChIKeyBVESIXZNAZNAGW-UHFFFAOYSA-N
XLogP2.31
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(furan-3-ylmethyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 131639081
8-(furan-3-ylmethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118746825
(4R)-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469969
(4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97384074
(4R)-4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469985
4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131640509
8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131657887
(4S)-8-benzoyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470012
(4S)-4-(1-methylpyrazol-4-yl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97384106
(4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391832
(4R)-8-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469841
2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97369823

Frequently Asked Questions

What is the IUPAC name of 8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (CID 131646046) is 8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is O=C1CC(c2ccncc2)C2(CCN(Cc3ccoc3)CC2)N1.
What is the InChIKey of 8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BVESIXZNAZNAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17-11-16(15-1-6-19-7-2-15)18(20-17)4-8-21(9-5-18)12-14-3-10-23-13-14/h1-3,6-7,10,13,16H,4-5,8-9,11-12H2,(H,20,22).
What are the key properties of 8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 311.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131646046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).