(5R)-9-(furan-3-ylmethyl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane

C19H25N3O3 — CID 97483738

IUPAC(5R)-9-(furan-3-ylmethyl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESc1cnc(OC[C@H]2COCCC23CCN(Cc2ccoc2)CC3)cn1
InChIInChI=1S/C19H25N3O3/c1-9-23-13-16(1)12-22-7-2-19(3-8-22)4-10-24-14-17(19)15-25-18-11-20-5-6-21-18/h1,5-6,9,11,13,17H,2-4,7-8,10,12,14-15H2/t17-/m1/s1
InChIKeyJMVPFIHNKUHRPJ-QGZVFWFLSA-N
MW343.43 g/mol
LogP2.77
Rot. Bonds5

About (5R)-9-(furan-3-ylmethyl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane

(5R)-9-(furan-3-ylmethyl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 97483738) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (5R)-9-(furan-3-ylmethyl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(5R)-9-(furan-3-ylmethyl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID97483738
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(5R)-9-(furan-3-ylmethyl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESc1cnc(OC[C@H]2COCCC23CCN(Cc2ccoc2)CC3)cn1
InChIInChI=1S/C19H25N3O3/c1-9-23-13-16(1)12-22-7-2-19(3-8-22)4-10-24-14-17(19)15-25-18-11-20-5-6-21-18/h1,5-6,9,11,13,17H,2-4,7-8,10,12,14-15H2/t17-/m1/s1
InChIKeyJMVPFIHNKUHRPJ-QGZVFWFLSA-N
XLogP2.77
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97475928
9-(pyridin-4-ylmethyl)-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 131662657
(3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 131680558
(5S)-9-(cyclopropylmethyl)-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97485813
(3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98813283
cyclopent-3-en-1-yl-[5-(pyridin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 131661809
(5R)-9-methylsulfonyl-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97475976
2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine
CID 154580959
8-(furan-3-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131655040
(4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97485283
2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine
CID 154829858
(3R)-8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97488249

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(furan-3-ylmethyl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of (5R)-9-(furan-3-ylmethyl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane (CID 97483738) is (5R)-9-(furan-3-ylmethyl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for (5R)-9-(furan-3-ylmethyl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for (5R)-9-(furan-3-ylmethyl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane is c1cnc(OC[C@H]2COCCC23CCN(Cc2ccoc2)CC3)cn1.
What is the InChIKey of (5R)-9-(furan-3-ylmethyl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is JMVPFIHNKUHRPJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-9-23-13-16(1)12-22-7-2-19(3-8-22)4-10-24-14-17(19)15-25-18-11-20-5-6-21-18/h1,5-6,9,11,13,17H,2-4,7-8,10,12,14-15H2/t17-/m1/s1.
What are the key properties of (5R)-9-(furan-3-ylmethyl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
(5R)-9-(furan-3-ylmethyl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 343.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(furan-3-ylmethyl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 97483738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).