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

C23H29N3O5 — CID 16909601

IUPAC1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(CC(=O)Nc3ccc(OC)c(OC)c3)CC2)c1
InChIInChI=1S/C23H29N3O5/c1-29-19-6-4-5-17(13-19)25-23(28)16-9-11-26(12-10-16)15-22(27)24-18-7-8-20(30-2)21(14-18)31-3/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyLWBNPMUKHPEZTR-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.00
Rot. Bonds8

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

1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 16909601) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
PubChem CID16909601
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(CC(=O)Nc3ccc(OC)c(OC)c3)CC2)c1
InChIInChI=1S/C23H29N3O5/c1-29-19-6-4-5-17(13-19)25-23(28)16-9-11-26(12-10-16)15-22(27)24-18-7-8-20(30-2)21(14-18)31-3/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyLWBNPMUKHPEZTR-UHFFFAOYSA-N
XLogP3.00
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909624
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 16909656
N-(3-chloro-4-methylphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909629
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 16909550
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 16909588
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134267
N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 86865510
2-(4-aminopiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 79322239
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 46360787
1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 25494837
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide (CID 16909601) is 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide is COc1cccc(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-(3-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is LWBNPMUKHPEZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-29-19-6-4-5-17(13-19)25-23(28)16-9-11-26(12-10-16)15-22(27)24-18-7-8-20(30-2)21(14-18)31-3/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide?
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 16909601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).