(3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane

C17H20N2O3 — CID 97394419

IUPAC(3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
SMILESc1cncc(O[C@H]2CO[C@@]3(CCN(Cc4ccco4)C3)C2)c1
InChIInChI=1S/C17H20N2O3/c1-3-14(10-18-6-1)22-16-9-17(21-12-16)5-7-19(13-17)11-15-4-2-8-20-15/h1-4,6,8,10,16H,5,7,9,11-13H2/t16-,17+/m1/s1
InChIKeyVSYXXFLLTPCOHH-SJORKVTESA-N
MW300.36 g/mol
LogP2.49
Rot. Bonds4

About (3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane

(3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 97394419) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
PubChem CID97394419
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
SMILESc1cncc(O[C@H]2CO[C@@]3(CCN(Cc4ccco4)C3)C2)c1
InChIInChI=1S/C17H20N2O3/c1-3-14(10-18-6-1)22-16-9-17(21-12-16)5-7-19(13-17)11-15-4-2-8-20-15/h1-4,6,8,10,16H,5,7,9,11-13H2/t16-,17+/m1/s1
InChIKeyVSYXXFLLTPCOHH-SJORKVTESA-N
XLogP2.49
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5S)-9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97488993
9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155842299
8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 131659879
(3S,5S)-9-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 124519886
(3S,5S)-7-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 171695613
8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 131645469
(3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 97395020
(3S,5R)-9-[(4-fluorophenyl)methyl]-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 124519890
8-(2-methoxyethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 134071228
(3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97371627
(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155825530
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155854271

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane (CID 97394419) is (3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane is c1cncc(O[C@H]2CO[C@@]3(CCN(Cc4ccco4)C3)C2)c1.
What is the InChIKey of (3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is VSYXXFLLTPCOHH-SJORKVTESA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-14(10-18-6-1)22-16-9-17(21-12-16)5-7-19(13-17)11-15-4-2-8-20-15/h1-4,6,8,10,16H,5,7,9,11-13H2/t16-,17+/m1/s1.
What are the key properties of (3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane?
(3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 300.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 97394419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).