(3S)-8-(furan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane

C19H24N2O3 — CID 97419037

IUPAC(3S)-8-(furan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESc1coc(CN2CCC3(CC2)C[C@H](OCc2ccncc2)CO3)c1
InChIInChI=1S/C19H24N2O3/c1-2-17(22-11-1)13-21-9-5-19(6-10-21)12-18(15-24-19)23-14-16-3-7-20-8-4-16/h1-4,7-8,11,18H,5-6,9-10,12-15H2/t18-/m0/s1
InChIKeyFAFFUCBCSLASFJ-SFHVURJKSA-N
MW328.41 g/mol
LogP3.01
Rot. Bonds5

About (3S)-8-(furan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane

(3S)-8-(furan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97419037) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (3S)-8-(furan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-8-(furan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
PubChem CID97419037
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(3S)-8-(furan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESc1coc(CN2CCC3(CC2)C[C@H](OCc2ccncc2)CO3)c1
InChIInChI=1S/C19H24N2O3/c1-2-17(22-11-1)13-21-9-5-19(6-10-21)12-18(15-24-19)23-14-16-3-7-20-8-4-16/h1-4,7-8,11,18H,5-6,9-10,12-15H2/t18-/m0/s1
InChIKeyFAFFUCBCSLASFJ-SFHVURJKSA-N
XLogP3.01
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(2-methylphenyl)methyl]-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131639785
(3S)-8-[(3-methylphenyl)methyl]-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97419069
(3R)-8-(cyclobutylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97419083
(3R)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97419078
(3S)-8-[(5-methylfuran-2-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane
CID 97371216
8-[(5-methylfuran-2-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane
CID 131659789
(3S)-8-[(5-methylfuran-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97371236
(3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394419
(3R)-N-(furan-2-ylmethyl)-N-methyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371380
(3R,5S)-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97477913
(3S)-8-methylsulfonyl-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97474987
8-cyclopropylsulfonyl-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131644438

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(furan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-8-(furan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane (CID 97419037) is (3S)-8-(furan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-8-(furan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-8-(furan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane is c1coc(CN2CCC3(CC2)C[C@H](OCc2ccncc2)CO3)c1.
What is the InChIKey of (3S)-8-(furan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is FAFFUCBCSLASFJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-17(22-11-1)13-21-9-5-19(6-10-21)12-18(15-24-19)23-14-16-3-7-20-8-4-16/h1-4,7-8,11,18H,5-6,9-10,12-15H2/t18-/m0/s1.
What are the key properties of (3S)-8-(furan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
(3S)-8-(furan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 328.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(furan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97419037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).