furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C20H25N3O3 — CID 97385590

IUPACfuran-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCN(Cc1ccccn1)[C@H]1COC2(CCN(C(=O)c3ccco3)CC2)C1
InChIInChI=1S/C20H25N3O3/c1-22(14-16-5-2-3-9-21-16)17-13-20(26-15-17)7-10-23(11-8-20)19(24)18-6-4-12-25-18/h2-6,9,12,17H,7-8,10-11,13-15H2,1H3/t17-/m1/s1
InChIKeyJIHKAUVBHDKJCO-QGZVFWFLSA-N
MW355.44 g/mol
LogP2.57
Rot. Bonds4

About furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 97385590) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID97385590
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Namefuran-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCN(Cc1ccccn1)[C@H]1COC2(CCN(C(=O)c3ccco3)CC2)C1
InChIInChI=1S/C20H25N3O3/c1-22(14-16-5-2-3-9-21-16)17-13-20(26-15-17)7-10-23(11-8-20)19(24)18-6-4-12-25-18/h2-6,9,12,17H,7-8,10-11,13-15H2,1H3/t17-/m1/s1
InChIKeyJIHKAUVBHDKJCO-QGZVFWFLSA-N
XLogP2.57
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
CID 133141655
[3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrrol-2-yl)methanone
CID 134074887
furan-2-yl-[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155833282
[3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
CID 134074886
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 131662070
cyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 124818809
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 131640830
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 97450643
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 131649158
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone
CID 118741004
[(4S)-4-[benzyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 164638881
(3R,5R)-N-methyl-7-propylsulfonyl-N-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778081

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 97385590) is furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is CN(Cc1ccccn1)[C@H]1COC2(CCN(C(=O)c3ccco3)CC2)C1.
What is the InChIKey of furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is JIHKAUVBHDKJCO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-22(14-16-5-2-3-9-21-16)17-13-20(26-15-17)7-10-23(11-8-20)19(24)18-6-4-12-25-18/h2-6,9,12,17H,7-8,10-11,13-15H2,1H3/t17-/m1/s1.
What are the key properties of furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97385590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).