(4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one

C17H24N2O4 — CID 97476246

IUPAC(4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOC[C@H]1C(=O)NCC12CCN(C(=O)c1cc(C)oc1C)CC2
InChIInChI=1S/C17H24N2O4/c1-11-8-13(12(2)23-11)16(21)19-6-4-17(5-7-19)10-18-15(20)14(17)9-22-3/h8,14H,4-7,9-10H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyISSAPWMHOFJEFM-AWEZNQCLSA-N
MW320.39 g/mol
LogP1.51
Rot. Bonds3

About (4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one

(4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97476246) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97476246
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOC[C@H]1C(=O)NCC12CCN(C(=O)c1cc(C)oc1C)CC2
InChIInChI=1S/C17H24N2O4/c1-11-8-13(12(2)23-11)16(21)19-6-4-17(5-7-19)10-18-15(20)14(17)9-22-3/h8,14H,4-7,9-10H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyISSAPWMHOFJEFM-AWEZNQCLSA-N
XLogP1.51
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 133136840
(4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97474206
(4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97476567
(2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418005
6-(2,5-dimethylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175577
1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251953
3-(2,5-dimethylfuran-3-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 86285979
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
[(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 97478003
[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 66201170
(3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone
CID 32824162
4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155831843

Frequently Asked Questions

What is the IUPAC name of (4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of (4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one (CID 97476246) is (4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one is COC[C@H]1C(=O)NCC12CCN(C(=O)c1cc(C)oc1C)CC2.
What is the InChIKey of (4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ISSAPWMHOFJEFM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-11-8-13(12(2)23-11)16(21)19-6-4-17(5-7-19)10-18-15(20)14(17)9-22-3/h8,14H,4-7,9-10H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one?
(4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 320.39 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97476246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).