1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide

C26H36N2O5 — CID 3129629

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
SMILESCOc1ccc(CN2CCCCC2C(=O)Nc2ccc(OC)c(OCC(C)C)c2)cc1OC
InChIInChI=1S/C26H36N2O5/c1-18(2)17-33-25-15-20(10-12-23(25)31-4)27-26(29)21-8-6-7-13-28(21)16-19-9-11-22(30-3)24(14-19)32-5/h9-12,14-15,18,21H,6-8,13,16-17H2,1-5H3,(H,27,29)
InChIKeyOWECXGGWIISILP-UHFFFAOYSA-N
MW456.58 g/mol
LogP4.74
Rot. Bonds10

About 1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide

1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide (PubChem CID 3129629) has the molecular formula C26H36N2O5 and a molecular weight of 456.58 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
PubChem CID3129629
Molecular FormulaC26H36N2O5
Molecular Weight456.58 g/mol
Exact Mass456.26
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
SMILESCOc1ccc(CN2CCCCC2C(=O)Nc2ccc(OC)c(OCC(C)C)c2)cc1OC
InChIInChI=1S/C26H36N2O5/c1-18(2)17-33-25-15-20(10-12-23(25)31-4)27-26(29)21-8-6-7-13-28(21)16-19-9-11-22(30-3)24(14-19)32-5/h9-12,14-15,18,21H,6-8,13,16-17H2,1-5H3,(H,27,29)
InChIKeyOWECXGGWIISILP-UHFFFAOYSA-N
XLogP4.74
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide (CID 3129629) is 1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide is COc1ccc(CN2CCCCC2C(=O)Nc2ccc(OC)c(OCC(C)C)c2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide?
The InChIKey is OWECXGGWIISILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O5/c1-18(2)17-33-25-15-20(10-12-23(25)31-4)27-26(29)21-8-6-7-13-28(21)16-19-9-11-22(30-3)24(14-19)32-5/h9-12,14-15,18,21H,6-8,13,16-17H2,1-5H3,(H,27,29).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide?
1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide has a molecular weight of 456.58 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 3129629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).