(4S,5S)-7-(furan-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one

C18H21N3O3 — CID 97482590

IUPAC(4S,5S)-7-(furan-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1NC[C@@H](COc2ccccn2)[C@]12CCN(Cc1ccco1)C2
InChIInChI=1S/C18H21N3O3/c22-17-18(6-8-21(13-18)11-15-4-3-9-23-15)14(10-20-17)12-24-16-5-1-2-7-19-16/h1-5,7,9,14H,6,8,10-13H2,(H,20,22)/t14-,18+/m0/s1
InChIKeyTZXCRJIQQAYRFK-KBXCAEBGSA-N
MW327.38 g/mol
LogP1.69
Rot. Bonds5

About (4S,5S)-7-(furan-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one

(4S,5S)-7-(furan-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97482590) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (4S,5S)-7-(furan-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(4S,5S)-7-(furan-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97482590
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(4S,5S)-7-(furan-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1NC[C@@H](COc2ccccn2)[C@]12CCN(Cc1ccco1)C2
InChIInChI=1S/C18H21N3O3/c22-17-18(6-8-21(13-18)11-15-4-3-9-23-15)14(10-20-17)12-24-16-5-1-2-7-19-16/h1-5,7,9,14H,6,8,10-13H2,(H,20,22)/t14-,18+/m0/s1
InChIKeyTZXCRJIQQAYRFK-KBXCAEBGSA-N
XLogP1.69
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5S)-7-[(5-methylfuran-2-yl)methyl]-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97485564
(4R,5R)-7-[(5-methylthiophen-2-yl)methyl]-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124818084
(4R,5S)-7-[(5-methylthiophen-2-yl)methyl]-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97484989
(4S,5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97485043
(4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124814377
(4R,5S)-7-(pyridin-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 171693538
(4S,5S)-4-(pyridin-2-yloxymethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155832919
(4R,5S)-7-[(1-methylpyrazol-4-yl)methyl]-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 171695069
(4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97485283
(4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97483654
(4S,5S)-7-cyclopropylsulfonyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155831381
(4S,5S)-7-(2-fluoropyridine-4-carbonyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155866871

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-7-(furan-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (4S,5S)-7-(furan-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97482590) is (4S,5S)-7-(furan-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (4S,5S)-7-(furan-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (4S,5S)-7-(furan-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C1NC[C@@H](COc2ccccn2)[C@]12CCN(Cc1ccco1)C2.
What is the InChIKey of (4S,5S)-7-(furan-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is TZXCRJIQQAYRFK-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-17-18(6-8-21(13-18)11-15-4-3-9-23-15)14(10-20-17)12-24-16-5-1-2-7-19-16/h1-5,7,9,14H,6,8,10-13H2,(H,20,22)/t14-,18+/m0/s1.
What are the key properties of (4S,5S)-7-(furan-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?
(4S,5S)-7-(furan-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 327.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-7-(furan-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97482590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).