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

C23H32N2O5 — CID 42526997

IUPACN-(2,4-dimethoxyphenyl)-3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]propanamide
SMILESCOCc1ccc(CN2CCC(CCC(=O)Nc3ccc(OC)cc3OC)CC2)o1
InChIInChI=1S/C23H32N2O5/c1-27-16-20-6-5-19(30-20)15-25-12-10-17(11-13-25)4-9-23(26)24-21-8-7-18(28-2)14-22(21)29-3/h5-8,14,17H,4,9-13,15-16H2,1-3H3,(H,24,26)
InChIKeySZEHGLAQAVBSLV-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.07
Rot. Bonds10

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

N-(2,4-dimethoxyphenyl)-3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]propanamide (PubChem CID 42526997) has the molecular formula C23H32N2O5 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]propanamide
PubChem CID42526997
Molecular FormulaC23H32N2O5
Molecular Weight416.52 g/mol
Exact Mass416.23
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]propanamide
SMILESCOCc1ccc(CN2CCC(CCC(=O)Nc3ccc(OC)cc3OC)CC2)o1
InChIInChI=1S/C23H32N2O5/c1-27-16-20-6-5-19(30-20)15-25-12-10-17(11-13-25)4-9-23(26)24-21-8-7-18(28-2)14-22(21)29-3/h5-8,14,17H,4,9-13,15-16H2,1-3H3,(H,24,26)
InChIKeySZEHGLAQAVBSLV-UHFFFAOYSA-N
XLogP4.07
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 26405274
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CID 72847750
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
CID 2901116
2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2573036
N'-(2,4-dimethoxyphenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]propanamide (CID 42526997) is N-(2,4-dimethoxyphenyl)-3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]propanamide is COCc1ccc(CN2CCC(CCC(=O)Nc3ccc(OC)cc3OC)CC2)o1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]propanamide?
The InChIKey is SZEHGLAQAVBSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5/c1-27-16-20-6-5-19(30-20)15-25-12-10-17(11-13-25)4-9-23(26)24-21-8-7-18(28-2)14-22(21)29-3/h5-8,14,17H,4,9-13,15-16H2,1-3H3,(H,24,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]propanamide?
N-(2,4-dimethoxyphenyl)-3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]propanamide has a molecular weight of 416.52 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 42526997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).