1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

C22H28N4O4 — CID 16802413

IUPAC1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)CN2CCC(C(=O)NCc3ccncc3)CC2)c(OC)c1
InChIInChI=1S/C22H28N4O4/c1-29-18-3-4-19(20(13-18)30-2)25-21(27)15-26-11-7-17(8-12-26)22(28)24-14-16-5-9-23-10-6-16/h3-6,9-10,13,17H,7-8,11-12,14-15H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyIUIDLYPNCSOBMS-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.07
Rot. Bonds8

About 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 16802413) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
PubChem CID16802413
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)CN2CCC(C(=O)NCc3ccncc3)CC2)c(OC)c1
InChIInChI=1S/C22H28N4O4/c1-29-18-3-4-19(20(13-18)30-2)25-21(27)15-26-11-7-17(8-12-26)22(28)24-14-16-5-9-23-10-6-16/h3-6,9-10,13,17H,7-8,11-12,14-15H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyIUIDLYPNCSOBMS-UHFFFAOYSA-N
XLogP2.07
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
1-N-(2,4-dimethoxyphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137267
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 16910047
N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910107
N-(5-chloro-2-methoxyphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910110
N-(2,4-dimethoxyphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 24762127
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2573036
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 16910167
4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148921
N'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887109
3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055230

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (CID 16802413) is 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is COc1ccc(NC(=O)CN2CCC(C(=O)NCc3ccncc3)CC2)c(OC)c1.
What is the InChIKey of 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is IUIDLYPNCSOBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-29-18-3-4-19(20(13-18)30-2)25-21(27)15-26-11-7-17(8-12-26)22(28)24-14-16-5-9-23-10-6-16/h3-6,9-10,13,17H,7-8,11-12,14-15H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 16802413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).