3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide

C21H26N2O5 — CID 46539288

IUPAC3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NC2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C21H26N2O5/c1-26-17-6-7-18(27-2)15(14-17)5-8-20(24)22-16-9-11-23(12-10-16)21(25)19-4-3-13-28-19/h3-4,6-7,13-14,16H,5,8-12H2,1-2H3,(H,22,24)
InChIKeyXUYGNPOFAWZPJX-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.65
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide

3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 46539288) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID46539288
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NC2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C21H26N2O5/c1-26-17-6-7-18(27-2)15(14-17)5-8-20(24)22-16-9-11-23(12-10-16)21(25)19-4-3-13-28-19/h3-4,6-7,13-14,16H,5,8-12H2,1-2H3,(H,22,24)
InChIKeyXUYGNPOFAWZPJX-UHFFFAOYSA-N
XLogP2.65
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149409
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 18146157
3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 18149437
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230134
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651
4-(4-ethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide
CID 16613595
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 108552688
3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide (CID 46539288) is 3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide is COc1ccc(OC)c(CCC(=O)NC2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is XUYGNPOFAWZPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-26-17-6-7-18(27-2)15(14-17)5-8-20(24)22-16-9-11-23(12-10-16)21(25)19-4-3-13-28-19/h3-4,6-7,13-14,16H,5,8-12H2,1-2H3,(H,22,24).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide?
3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 386.45 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 46539288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).