1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide

C24H31N3O6 — CID 16909624

IUPAC1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCN(CC(=O)Nc3ccc(OC)c(OC)c3)CC2)c1
InChIInChI=1S/C24H31N3O6/c1-30-18-6-8-20(31-2)19(14-18)26-24(29)16-9-11-27(12-10-16)15-23(28)25-17-5-7-21(32-3)22(13-17)33-4/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyUPPQOWDJKIVPHN-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.01
Rot. Bonds9

About 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide

1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide (PubChem CID 16909624) has the molecular formula C24H31N3O6 and a molecular weight of 457.53 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
PubChem CID16909624
Molecular FormulaC24H31N3O6
Molecular Weight457.53 g/mol
Exact Mass457.22
IUPAC Name1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCN(CC(=O)Nc3ccc(OC)c(OC)c3)CC2)c1
InChIInChI=1S/C24H31N3O6/c1-30-18-6-8-20(31-2)19(14-18)26-24(29)16-9-11-27(12-10-16)15-23(28)25-17-5-7-21(32-3)22(13-17)33-4/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyUPPQOWDJKIVPHN-UHFFFAOYSA-N
XLogP3.01
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 16909601
1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909214
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134267
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 16909656
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 16909588
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 16909550
N-(5-chloro-2-methoxyphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910110
N-(3-chloro-4-methylphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909629
2-(4-aminopiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 79322239
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910107

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide (CID 16909624) is 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide is COc1ccc(OC)c(NC(=O)C2CCN(CC(=O)Nc3ccc(OC)c(OC)c3)CC2)c1.
What is the InChIKey of 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is UPPQOWDJKIVPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6/c1-30-18-6-8-20(31-2)19(14-18)26-24(29)16-9-11-27(12-10-16)15-23(28)25-17-5-7-21(32-3)22(13-17)33-4/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide?
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 16909624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).