methyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate

C22H26N2O4 — CID 70777952

IUPACmethyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(CN3CCC4(CC3)CC(=O)N(C)C4)o2)cc1
InChIInChI=1S/C22H26N2O4/c1-23-15-22(13-20(23)25)9-11-24(12-10-22)14-18-7-8-19(28-18)16-3-5-17(6-4-16)21(26)27-2/h3-8H,9-15H2,1-2H3
InChIKeyCXZFMEMDNMOZAC-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.18
Rot. Bonds4

About methyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate

methyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate (PubChem CID 70777952) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is methyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate
PubChem CID70777952
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Namemethyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(CN3CCC4(CC3)CC(=O)N(C)C4)o2)cc1
InChIInChI=1S/C22H26N2O4/c1-23-15-22(13-20(23)25)9-11-24(12-10-22)14-18-7-8-19(28-18)16-3-5-17(6-4-16)21(26)27-2/h3-8H,9-15H2,1-2H3
InChIKeyCXZFMEMDNMOZAC-UHFFFAOYSA-N
XLogP3.18
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate with MolForge

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Related Compounds

1-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
CID 122035756
2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70773830
methyl 4-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]furan-2-yl]benzoate
CID 8636670
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
methyl 4-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17332782
2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70755266
(5R)-7-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95868557
1-adamantyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8636389
methyl 4-(5-methylfuran-2-yl)benzoate
CID 5219873
methyl 4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]benzoate;dihydrochloride
CID 17332913
methyl 3-bromo-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzoate
CID 102767604
methyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate
CID 123447312

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate?
The IUPAC name of methyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate (CID 70777952) is methyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate.
What is the SMILES notation for methyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate?
The canonical SMILES for methyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate is COC(=O)c1ccc(-c2ccc(CN3CCC4(CC3)CC(=O)N(C)C4)o2)cc1.
What is the InChIKey of methyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate?
The InChIKey is CXZFMEMDNMOZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-23-15-22(13-20(23)25)9-11-24(12-10-22)14-18-7-8-19(28-18)16-3-5-17(6-4-16)21(26)27-2/h3-8H,9-15H2,1-2H3.
What are the key properties of methyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate?
methyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate has a molecular weight of 382.46 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate is sourced from PubChem (CID 70777952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).