(6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C18H23N3O3 — CID 97373115

IUPAC(6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESc1cncc(N2CCOC[C@]3(CN(Cc4ccoc4)CCO3)C2)c1
InChIInChI=1S/C18H23N3O3/c1-2-17(10-19-4-1)21-6-8-23-15-18(14-21)13-20(5-9-24-18)11-16-3-7-22-12-16/h1-4,7,10,12H,5-6,8-9,11,13-15H2/t18-/m0/s1
InChIKeySORHIOWFYTYAHG-SFHVURJKSA-N
MW329.40 g/mol
LogP1.78
Rot. Bonds3

About (6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

(6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 97373115) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID97373115
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESc1cncc(N2CCOC[C@]3(CN(Cc4ccoc4)CCO3)C2)c1
InChIInChI=1S/C18H23N3O3/c1-2-17(10-19-4-1)21-6-8-23-15-18(14-21)13-20(5-9-24-18)11-16-3-7-22-12-16/h1-4,7,10,12H,5-6,8-9,11,13-15H2/t18-/m0/s1
InChIKeySORHIOWFYTYAHG-SFHVURJKSA-N
XLogP1.78
TPSA50.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane with MolForge

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Related Compounds

4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134072944
(6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373124
8-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131640266
(5R)-6,6-difluoro-9-(furan-3-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decane
CID 97374384
8-methylsulfonyl-4-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 131650651
8-cyclopropylsulfonyl-4-(furan-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134070478
furan-2-yl-[8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 134072937
(6S)-4-[(3-methylimidazol-4-yl)methyl]-8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492020
cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 97398414
[4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone
CID 97450771
(6S)-8-(4-methoxyphenyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492001
(6R)-11-pyridin-3-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372839

Frequently Asked Questions

What is the IUPAC name of (6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of (6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 97373115) is (6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for (6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is c1cncc(N2CCOC[C@]3(CN(Cc4ccoc4)CCO3)C2)c1.
What is the InChIKey of (6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is SORHIOWFYTYAHG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-17(10-19-4-1)21-6-8-23-15-18(14-21)13-20(5-9-24-18)11-16-3-7-22-12-16/h1-4,7,10,12H,5-6,8-9,11,13-15H2/t18-/m0/s1.
What are the key properties of (6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
(6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 329.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97373115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).