2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

C25H34N4O4 — CID 60504487

IUPAC2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESCc1cc(C(=O)N2CCN(CC(=O)NCc3ccccc3CN3CCOCC3)CC2)c(C)o1
InChIInChI=1S/C25H34N4O4/c1-19-15-23(20(2)33-19)25(31)29-9-7-27(8-10-29)18-24(30)26-16-21-5-3-4-6-22(21)17-28-11-13-32-14-12-28/h3-6,15H,7-14,16-18H2,1-2H3,(H,26,30)
InChIKeyCRTQTVSOZCLAKX-UHFFFAOYSA-N
MW454.57 g/mol
LogP1.80
Rot. Bonds7

About 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 60504487) has the molecular formula C25H34N4O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID60504487
Molecular FormulaC25H34N4O4
Molecular Weight454.57 g/mol
Exact Mass454.26
IUPAC Name2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESCc1cc(C(=O)N2CCN(CC(=O)NCc3ccccc3CN3CCOCC3)CC2)c(C)o1
InChIInChI=1S/C25H34N4O4/c1-19-15-23(20(2)33-19)25(31)29-9-7-27(8-10-29)18-24(30)26-16-21-5-3-4-6-22(21)17-28-11-13-32-14-12-28/h3-6,15H,7-14,16-18H2,1-2H3,(H,26,30)
InChIKeyCRTQTVSOZCLAKX-UHFFFAOYSA-N
XLogP1.80
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
CID 60503666
2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55848719
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31443488
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31787549
2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide
CID 55888356
(2,5-dimethylfuran-3-yl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 37250280
2-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60668732
3-(3,4-dimethylphenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 9481393

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 60504487) is 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is Cc1cc(C(=O)N2CCN(CC(=O)NCc3ccccc3CN3CCOCC3)CC2)c(C)o1.
What is the InChIKey of 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is CRTQTVSOZCLAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4/c1-19-15-23(20(2)33-19)25(31)29-9-7-27(8-10-29)18-24(30)26-16-21-5-3-4-6-22(21)17-28-11-13-32-14-12-28/h3-6,15H,7-14,16-18H2,1-2H3,(H,26,30).
What are the key properties of 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 454.57 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 60504487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).