4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C16H22N2O4 — CID 133136840

IUPAC4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCC1C(=O)NCC12CCN(C(=O)c1occc1C)CC2
InChIInChI=1S/C16H22N2O4/c1-11-3-8-22-13(11)15(20)18-6-4-16(5-7-18)10-17-14(19)12(16)9-21-2/h3,8,12H,4-7,9-10H2,1-2H3,(H,17,19)
InChIKeyQRFUUDBYISBMRU-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.20
Rot. Bonds3

About 4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 133136840) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID133136840
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCC1C(=O)NCC12CCN(C(=O)c1occc1C)CC2
InChIInChI=1S/C16H22N2O4/c1-11-3-8-22-13(11)15(20)18-6-4-16(5-7-18)10-17-14(19)12(16)9-21-2/h3,8,12H,4-7,9-10H2,1-2H3,(H,17,19)
InChIKeyQRFUUDBYISBMRU-UHFFFAOYSA-N
XLogP1.20
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97476246
(4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97476567
(4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97474206
4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131644985
4-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 155837349
(3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304339
[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 131647307
4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155831843
[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 97476796
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-methylfuran-2-yl)methanone
CID 97100801
(3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
CID 79507269
(3R)-2-methyl-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95727982

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 133136840) is 4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is COCC1C(=O)NCC12CCN(C(=O)c1occc1C)CC2.
What is the InChIKey of 4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is QRFUUDBYISBMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-3-8-22-13(11)15(20)18-6-4-16(5-7-18)10-17-14(19)12(16)9-21-2/h3,8,12H,4-7,9-10H2,1-2H3,(H,17,19).
What are the key properties of 4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 306.36 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 133136840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).