(3S,5S)-9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane

C18H22N2O3 — CID 97488993

IUPAC(3S,5S)-9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
SMILESc1cncc(O[C@@H]2CO[C@@]3(CCCN(Cc4ccco4)C3)C2)c1
InChIInChI=1S/C18H22N2O3/c1-4-15(11-19-7-1)23-17-10-18(22-13-17)6-3-8-20(14-18)12-16-5-2-9-21-16/h1-2,4-5,7,9,11,17H,3,6,8,10,12-14H2/t17-,18-/m0/s1
InChIKeyFGTXYVOXKVWCID-ROUUACIJSA-N
MW314.38 g/mol
LogP2.88
Rot. Bonds4

About (3S,5S)-9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane

(3S,5S)-9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane (PubChem CID 97488993) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (3S,5S)-9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S,5S)-9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
PubChem CID97488993
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(3S,5S)-9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
SMILESc1cncc(O[C@@H]2CO[C@@]3(CCCN(Cc4ccco4)C3)C2)c1
InChIInChI=1S/C18H22N2O3/c1-4-15(11-19-7-1)23-17-10-18(22-13-17)6-3-8-20(14-18)12-16-5-2-9-21-16/h1-2,4-5,7,9,11,17H,3,6,8,10,12-14H2/t17-,18-/m0/s1
InChIKeyFGTXYVOXKVWCID-ROUUACIJSA-N
XLogP2.88
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394419
9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155842299
(3S,5S)-9-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 124519886
(3S,5R)-9-[(4-fluorophenyl)methyl]-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 124519890
(3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97371627
9-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 134071300
9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 131660794
8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 131659879
(3S,5S)-N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97371636
(3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 97395020
8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 131645469
(7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 124799097

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3S,5S)-9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane (CID 97488993) is (3S,5S)-9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3S,5S)-9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3S,5S)-9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane is c1cncc(O[C@@H]2CO[C@@]3(CCCN(Cc4ccco4)C3)C2)c1.
What is the InChIKey of (3S,5S)-9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is FGTXYVOXKVWCID-ROUUACIJSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-15(11-19-7-1)23-17-10-18(22-13-17)6-3-8-20(14-18)12-16-5-2-9-21-16/h1-2,4-5,7,9,11,17H,3,6,8,10,12-14H2/t17-,18-/m0/s1.
What are the key properties of (3S,5S)-9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane?
(3S,5S)-9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 314.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97488993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).