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

C16H23N3O4 — CID 8531166

IUPAC1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)CN2CCC(C(N)=O)CC2)c(OC)c1
InChIInChI=1S/C16H23N3O4/c1-22-12-3-4-13(14(9-12)23-2)18-15(20)10-19-7-5-11(6-8-19)16(17)21/h3-4,9,11H,5-8,10H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyCTIBNWQPINEZQA-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.84
Rot. Bonds6

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

1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 8531166) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID8531166
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)CN2CCC(C(N)=O)CC2)c(OC)c1
InChIInChI=1S/C16H23N3O4/c1-22-12-3-4-13(14(9-12)23-2)18-15(20)10-19-7-5-11(6-8-19)16(17)21/h3-4,9,11H,5-8,10H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyCTIBNWQPINEZQA-UHFFFAOYSA-N
XLogP0.84
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 24762127
N-(5-chloro-2-methoxyphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910110
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2573036
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 16802413
N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910107
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134267
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909624
N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide
CID 30721755
N-(2,4-dimethoxyphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086226
1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909214

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 8531166) is 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide is COc1ccc(NC(=O)CN2CCC(C(N)=O)CC2)c(OC)c1.
What is the InChIKey of 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is CTIBNWQPINEZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-22-12-3-4-13(14(9-12)23-2)18-15(20)10-19-7-5-11(6-8-19)16(17)21/h3-4,9,11H,5-8,10H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 8531166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).