N-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine

C24H36N2O3 — CID 42212099

IUPACN-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
SMILESCOCCN(Cc1cc(C)c(C)o1)CC1CCN(Cc2ccccc2OC)CC1
InChIInChI=1S/C24H36N2O3/c1-19-15-23(29-20(19)2)18-26(13-14-27-3)16-21-9-11-25(12-10-21)17-22-7-5-6-8-24(22)28-4/h5-8,15,21H,9-14,16-18H2,1-4H3
InChIKeyRIWULYQCLSHBDQ-UHFFFAOYSA-N
MW400.56 g/mol
LogP4.27
Rot. Bonds10

About N-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine

N-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 42212099) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is N-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
PubChem CID42212099
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC NameN-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
SMILESCOCCN(Cc1cc(C)c(C)o1)CC1CCN(Cc2ccccc2OC)CC1
InChIInChI=1S/C24H36N2O3/c1-19-15-23(29-20(19)2)18-26(13-14-27-3)16-21-9-11-25(12-10-21)17-22-7-5-6-8-24(22)28-4/h5-8,15,21H,9-14,16-18H2,1-4H3
InChIKeyRIWULYQCLSHBDQ-UHFFFAOYSA-N
XLogP4.27
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 25378961
N-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
CID 42157993
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 42458350
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 26315195
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methylsulfanylacetamide
CID 42190581
2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 25384935
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide
CID 42343578
(2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]spiro[2.3]hexane-2-carboxamide
CID 42122512
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
CID 42212133
N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
CID 45202660
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 26390566

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine (CID 42212099) is N-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine is COCCN(Cc1cc(C)c(C)o1)CC1CCN(Cc2ccccc2OC)CC1.
What is the InChIKey of N-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is RIWULYQCLSHBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3/c1-19-15-23(29-20(19)2)18-26(13-14-27-3)16-21-9-11-25(12-10-21)17-22-7-5-6-8-24(22)28-4/h5-8,15,21H,9-14,16-18H2,1-4H3.
What are the key properties of N-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine?
N-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 400.56 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 42212099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).