2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane

C17H21N3O — CID 97369823

IUPAC2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
SMILESc1cc(CN2CCC3(C2)CN(Cc2ccoc2)C3)ccn1
InChIInChI=1S/C17H21N3O/c1-5-18-6-2-15(1)9-19-7-4-17(12-19)13-20(14-17)10-16-3-8-21-11-16/h1-3,5-6,8,11H,4,7,9-10,12-14H2
InChIKeyQKLASLDRBAJQMO-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.38
Rot. Bonds4

About 2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane

2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane (PubChem CID 97369823) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
PubChem CID97369823
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
SMILESc1cc(CN2CCC3(C2)CN(Cc2ccoc2)C3)ccn1
InChIInChI=1S/C17H21N3O/c1-5-18-6-2-15(1)9-19-7-4-17(12-19)13-20(14-17)10-16-3-8-21-11-16/h1-3,5-6,8,11H,4,7,9-10,12-14H2
InChIKeyQKLASLDRBAJQMO-UHFFFAOYSA-N
XLogP2.38
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(furan-3-ylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decane
CID 118747028
2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472798
[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97370057
2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97369827
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
2-[(5-methylthiophen-2-yl)methyl]-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155829044
[2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 131655788
[7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
CID 97392927
furan-2-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 3234982
(5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97483918
2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155829242
7-(benzenesulfonyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97472438

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane (CID 97369823) is 2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane is c1cc(CN2CCC3(C2)CN(Cc2ccoc2)C3)ccn1.
What is the InChIKey of 2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane?
The InChIKey is QKLASLDRBAJQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-5-18-6-2-15(1)9-19-7-4-17(12-19)13-20(14-17)10-16-3-8-21-11-16/h1-3,5-6,8,11H,4,7,9-10,12-14H2.
What are the key properties of 2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane?
2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane has a molecular weight of 283.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97369823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).