2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide

C23H31N3O4 — CID 86879198

IUPAC2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
SMILESCc1ccc(C(=O)N2CCN(CC(=O)NCc3ccc(COC(C)C)cc3)CC2)o1
InChIInChI=1S/C23H31N3O4/c1-17(2)29-16-20-7-5-19(6-8-20)14-24-22(27)15-25-10-12-26(13-11-25)23(28)21-9-4-18(3)30-21/h4-9,17H,10-16H2,1-3H3,(H,24,27)
InChIKeyBXVZZSIJYKUCFX-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.59
Rot. Bonds8

About 2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide

2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide (PubChem CID 86879198) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
PubChem CID86879198
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
SMILESCc1ccc(C(=O)N2CCN(CC(=O)NCc3ccc(COC(C)C)cc3)CC2)o1
InChIInChI=1S/C23H31N3O4/c1-17(2)29-16-20-7-5-19(6-8-20)14-24-22(27)15-25-10-12-26(13-11-25)23(28)21-9-4-18(3)30-21/h4-9,17H,10-16H2,1-3H3,(H,24,27)
InChIKeyBXVZZSIJYKUCFX-UHFFFAOYSA-N
XLogP2.59
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide with MolForge

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Related Compounds

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
CID 86879204
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-prop-2-ynylpiperazine-1-carboxamide
CID 84592127
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 37375142
2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119920092
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 120761179
2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide
CID 16603865
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 78898036
2-(4-acetylpiperazin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 32808855
N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 51172066
[4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43251608
N-benzyl-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide
CID 34436231

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide (CID 86879198) is 2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide is Cc1ccc(C(=O)N2CCN(CC(=O)NCc3ccc(COC(C)C)cc3)CC2)o1.
What is the InChIKey of 2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The InChIKey is BXVZZSIJYKUCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-17(2)29-16-20-7-5-19(6-8-20)14-24-22(27)15-25-10-12-26(13-11-25)23(28)21-9-4-18(3)30-21/h4-9,17H,10-16H2,1-3H3,(H,24,27).
What are the key properties of 2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide has a molecular weight of 413.52 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 86879198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).