2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide

C22H27N3O7 — CID 18575698

IUPAC2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1coc(CN2CCN(C(=O)c3ccco3)CC2)cc1=O)NCC1CCCO1
InChIInChI=1S/C22H27N3O7/c26-18-11-17(13-24-5-7-25(8-6-24)22(28)19-4-2-10-30-19)31-14-20(18)32-15-21(27)23-12-16-3-1-9-29-16/h2,4,10-11,14,16H,1,3,5-9,12-13,15H2,(H,23,27)
InChIKeyUPVFHRDTYXLPLS-UHFFFAOYSA-N
MW445.47 g/mol
LogP0.86
Rot. Bonds8

About 2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide

2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 18575698) has the molecular formula C22H27N3O7 and a molecular weight of 445.47 g/mol. Its IUPAC name is 2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
PubChem CID18575698
Molecular FormulaC22H27N3O7
Molecular Weight445.47 g/mol
Exact Mass445.18
IUPAC Name2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1coc(CN2CCN(C(=O)c3ccco3)CC2)cc1=O)NCC1CCCO1
InChIInChI=1S/C22H27N3O7/c26-18-11-17(13-24-5-7-25(8-6-24)22(28)19-4-2-10-30-19)31-14-20(18)32-15-21(27)23-12-16-3-1-9-29-16/h2,4,10-11,14,16H,1,3,5-9,12-13,15H2,(H,23,27)
InChIKeyUPVFHRDTYXLPLS-UHFFFAOYSA-N
XLogP0.86
TPSA114.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide 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

2-[6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41184730
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
CID 16812837
(3R)-1-(furan-2-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 34750702
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42691389
[4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 66507581
2-[6-(azepan-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-[(3-fluorophenyl)methyl]acetamide
CID 71707658
N-tert-butyl-2-[6-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
CID 7293016
2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one
CID 7292891
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115022
4-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 60698794
4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 166196809

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide (CID 18575698) is 2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide is O=C(COc1coc(CN2CCN(C(=O)c3ccco3)CC2)cc1=O)NCC1CCCO1.
What is the InChIKey of 2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is UPVFHRDTYXLPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O7/c26-18-11-17(13-24-5-7-25(8-6-24)22(28)19-4-2-10-30-19)31-14-20(18)32-15-21(27)23-12-16-3-1-9-29-16/h2,4,10-11,14,16H,1,3,5-9,12-13,15H2,(H,23,27).
What are the key properties of 2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide?
2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 445.47 g/mol, XLogP of 0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 18575698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).