(6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

C18H23N3O2 — CID 97492059

IUPAC(6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESc1ccc(N2CCC[C@]3(CN(Cc4ccco4)CCO3)C2)nc1
InChIInChI=1S/C18H23N3O2/c1-2-8-19-17(6-1)21-9-4-7-18(15-21)14-20(10-12-23-18)13-16-5-3-11-22-16/h1-3,5-6,8,11H,4,7,9-10,12-15H2/t18-/m0/s1
InChIKeyCUDAZZIETFXCLG-SFHVURJKSA-N
MW313.40 g/mol
LogP2.55
Rot. Bonds3

About (6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

(6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 97492059) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID97492059
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESc1ccc(N2CCC[C@]3(CN(Cc4ccco4)CCO3)C2)nc1
InChIInChI=1S/C18H23N3O2/c1-2-8-19-17(6-1)21-9-4-7-18(15-21)14-20(10-12-23-18)13-16-5-3-11-22-16/h1-3,5-6,8,11H,4,7,9-10,12-15H2/t18-/m0/s1
InChIKeyCUDAZZIETFXCLG-SFHVURJKSA-N
XLogP2.55
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane with MolForge

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Related Compounds

8-pyridin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131646115
(6S)-8-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372432
8-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131643632
4-(pyridin-4-ylmethyl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134072499
(6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396447
(6S)-8-pyrazin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372434
(6S)-4-[(4-fluorophenyl)methyl]-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396493
8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134077831
(6S)-8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372435
9-pyridin-2-yl-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479328
(5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472155
4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372287

Frequently Asked Questions

What is the IUPAC name of (6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of (6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 97492059) is (6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for (6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for (6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is c1ccc(N2CCC[C@]3(CN(Cc4ccco4)CCO3)C2)nc1.
What is the InChIKey of (6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is CUDAZZIETFXCLG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-8-19-17(6-1)21-9-4-7-18(15-21)14-20(10-12-23-18)13-16-5-3-11-22-16/h1-3,5-6,8,11H,4,7,9-10,12-15H2/t18-/m0/s1.
What are the key properties of (6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
(6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 313.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 97492059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).