4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide

C24H32N4O4 — CID 86879955

IUPAC4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NCc3cccc(CN4CCOC(C)C4)c3)CC2)o1
InChIInChI=1S/C24H32N4O4/c1-18-6-7-22(32-18)23(29)27-8-10-28(11-9-27)24(30)25-15-20-4-3-5-21(14-20)17-26-12-13-31-19(2)16-26/h3-7,14,19H,8-13,15-17H2,1-2H3,(H,25,30)
InChIKeyIZXUXXBOCAGJHT-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.48
Rot. Bonds5

About 4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide

4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide (PubChem CID 86879955) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide
PubChem CID86879955
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NCc3cccc(CN4CCOC(C)C4)c3)CC2)o1
InChIInChI=1S/C24H32N4O4/c1-18-6-7-22(32-18)23(29)27-8-10-28(11-9-27)24(30)25-15-20-4-3-5-21(14-20)17-26-12-13-31-19(2)16-26/h3-7,14,19H,8-13,15-17H2,1-2H3,(H,25,30)
InChIKeyIZXUXXBOCAGJHT-UHFFFAOYSA-N
XLogP2.48
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126792520
1-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 124839884
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2,3-dihydroindole-1-carboxamide
CID 47744242
1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
CID 60586672
2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119864244
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
4,4-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pent-2-enamide
CID 72689925
(Z)-2-methyl-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]pent-2-enamide
CID 94820446
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
CID 56552754
2-methyl-1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-[(3-methylphenyl)methyl]guanidine
CID 111900889
1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea
CID 52502638
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119864301

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide (CID 86879955) is 4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide is Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccc(CN4CCOC(C)C4)c3)CC2)o1.
What is the InChIKey of 4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is IZXUXXBOCAGJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-18-6-7-22(32-18)23(29)27-8-10-28(11-9-27)24(30)25-15-20-4-3-5-21(14-20)17-26-12-13-31-19(2)16-26/h3-7,14,19H,8-13,15-17H2,1-2H3,(H,25,30).
What are the key properties of 4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide?
4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 86879955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).