3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide

C22H30N2O4 — CID 26405274

IUPAC3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOCc1ccc(CN2CCC(CCC(=O)Nc3cccc(OC)c3)CC2)o1
InChIInChI=1S/C22H30N2O4/c1-26-16-21-8-7-20(28-21)15-24-12-10-17(11-13-24)6-9-22(25)23-18-4-3-5-19(14-18)27-2/h3-5,7-8,14,17H,6,9-13,15-16H2,1-2H3,(H,23,25)
InChIKeyLWCHMJWMKJEOCM-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.07
Rot. Bonds9

About 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide

3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide (PubChem CID 26405274) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
PubChem CID26405274
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOCc1ccc(CN2CCC(CCC(=O)Nc3cccc(OC)c3)CC2)o1
InChIInChI=1S/C22H30N2O4/c1-26-16-21-8-7-20(28-21)15-24-12-10-17(11-13-24)6-9-22(25)23-18-4-3-5-19(14-18)27-2/h3-5,7-8,14,17H,6,9-13,15-16H2,1-2H3,(H,23,25)
InChIKeyLWCHMJWMKJEOCM-UHFFFAOYSA-N
XLogP4.07
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
CID 42213549
N-(2,4-dimethoxyphenyl)-3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]propanamide
CID 42526997
N-(3-methoxyphenyl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanamide
CID 42099100
3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 29022201
3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 91903809
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 25453412
3-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 25375209
N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 45246394
N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97283369
N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide
CID 72881305
N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide
CID 136529358
N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921880

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide (CID 26405274) is 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide is COCc1ccc(CN2CCC(CCC(=O)Nc3cccc(OC)c3)CC2)o1.
What is the InChIKey of 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
The InChIKey is LWCHMJWMKJEOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-26-16-21-8-7-20(28-21)15-24-12-10-17(11-13-24)6-9-22(25)23-18-4-3-5-19(14-18)27-2/h3-5,7-8,14,17H,6,9-13,15-16H2,1-2H3,(H,23,25).
What are the key properties of 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide has a molecular weight of 386.49 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 26405274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).