N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide

C26H36N2O5 — CID 3607741

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)C2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc1OC
InChIInChI=1S/C26H36N2O5/c1-27(13-10-19-6-8-22(30-2)24(16-19)32-4)26(29)21-11-14-28(15-12-21)18-20-7-9-23(31-3)25(17-20)33-5/h6-9,16-17,21H,10-15,18H2,1-5H3
InChIKeyXSZUWCWMXLLFLS-UHFFFAOYSA-N
MW456.58 g/mol
LogP3.63
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 3607741) has the molecular formula C26H36N2O5 and a molecular weight of 456.58 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID3607741
Molecular FormulaC26H36N2O5
Molecular Weight456.58 g/mol
Exact Mass456.26
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)C2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc1OC
InChIInChI=1S/C26H36N2O5/c1-27(13-10-19-6-8-22(30-2)24(16-19)32-4)26(29)21-11-14-28(15-12-21)18-20-7-9-23(31-3)25(17-20)33-5/h6-9,16-17,21H,10-15,18H2,1-5H3
InChIKeyXSZUWCWMXLLFLS-UHFFFAOYSA-N
XLogP3.63
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,3-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1071409
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 163328069
N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 163328607
1-(2,4-difluorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 38010862
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 55790309
1-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 1080752
methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate
CID 16767490
1-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55575180
1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-one
CID 83980733
1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]azepane;oxalic acid
CID 2913614
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 658810
N-benzyl-N-(2-hydroxyethyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 2903593

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide (CID 3607741) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide is COc1ccc(CCN(C)C(=O)C2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is XSZUWCWMXLLFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O5/c1-27(13-10-19-6-8-22(30-2)24(16-19)32-4)26(29)21-11-14-28(15-12-21)18-20-7-9-23(31-3)25(17-20)33-5/h6-9,16-17,21H,10-15,18H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 456.58 g/mol, XLogP of 3.63, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 3607741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).