2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide

C21H24N2O6 — CID 146379833

IUPAC2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)CC1CCN(C(=O)Cc3ccco3)CC1)OCO2
InChIInChI=1S/C21H24N2O6/c1-26-17-12-19-18(28-13-29-19)11-16(17)22-20(24)9-14-4-6-23(7-5-14)21(25)10-15-3-2-8-27-15/h2-3,8,11-12,14H,4-7,9-10,13H2,1H3,(H,22,24)
InChIKeyINLKCDQCWVUSOT-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.83
Rot. Bonds6

About 2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide

2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide (PubChem CID 146379833) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
PubChem CID146379833
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Name2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)CC1CCN(C(=O)Cc3ccco3)CC1)OCO2
InChIInChI=1S/C21H24N2O6/c1-26-17-12-19-18(28-13-29-19)11-16(17)22-20(24)9-14-4-6-23(7-5-14)21(25)10-15-3-2-8-27-15/h2-3,8,11-12,14H,4-7,9-10,13H2,1H3,(H,22,24)
InChIKeyINLKCDQCWVUSOT-UHFFFAOYSA-N
XLogP2.83
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide with MolForge

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 146379969
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 166005040
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 166005021
N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(oxan-4-yl)acetyl]piperazin-1-yl]acetamide
CID 152934431
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
CID 166005024
2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
CID 166004983
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 146379928
2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110690646
2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110690707
propyl 4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 146379967
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide
CID 110690762
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide
CID 146379924

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide (CID 146379833) is 2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide is COc1cc2c(cc1NC(=O)CC1CCN(C(=O)Cc3ccco3)CC1)OCO2.
What is the InChIKey of 2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide?
The InChIKey is INLKCDQCWVUSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-26-17-12-19-18(28-13-29-19)11-16(17)22-20(24)9-14-4-6-23(7-5-14)21(25)10-15-3-2-8-27-15/h2-3,8,11-12,14H,4-7,9-10,13H2,1H3,(H,22,24).
What are the key properties of 2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide?
2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide has a molecular weight of 400.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 146379833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).