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

C26H36N2O5 — CID 3238551

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)C2CCCN(Cc3ccc(OC)c(OC)c3)C2)cc1OC
InChIInChI=1S/C26H36N2O5/c1-27(14-12-19-8-10-22(30-2)24(15-19)32-4)26(29)21-7-6-13-28(18-21)17-20-9-11-23(31-3)25(16-20)33-5/h8-11,15-16,21H,6-7,12-14,17-18H2,1-5H3
InChIKeyXJJDWEDQSMGTCV-UHFFFAOYSA-N
MW456.58 g/mol
LogP3.63
Rot. Bonds10

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 3238551) 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-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID3238551
Molecular FormulaC26H36N2O5
Molecular Weight456.58 g/mol
Exact Mass456.26
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)C2CCCN(Cc3ccc(OC)c(OC)c3)C2)cc1OC
InChIInChI=1S/C26H36N2O5/c1-27(14-12-19-8-10-22(30-2)24(15-19)32-4)26(29)21-7-6-13-28(18-21)17-20-9-11-23(31-3)25(16-20)33-5/h8-11,15-16,21H,6-7,12-14,17-18H2,1-5H3
InChIKeyXJJDWEDQSMGTCV-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide (CID 3238551) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide is COc1ccc(CCN(C)C(=O)C2CCCN(Cc3ccc(OC)c(OC)c3)C2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is XJJDWEDQSMGTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O5/c1-27(14-12-19-8-10-22(30-2)24(15-19)32-4)26(29)21-7-6-13-28(18-21)17-20-9-11-23(31-3)25(16-20)33-5/h8-11,15-16,21H,6-7,12-14,17-18H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-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-3-carboxamide is sourced from PubChem (CID 3238551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).