1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide

C16H23N3O4 — CID 16909214

IUPAC1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C16H23N3O4/c1-22-12-3-4-14(23-2)13(9-12)18-16(21)11-5-7-19(8-6-11)10-15(17)20/h3-4,9,11H,5-8,10H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyPCPBUCRLSGUFJT-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.84
Rot. Bonds6

About 1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide

1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide (PubChem CID 16909214) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
PubChem CID16909214
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C16H23N3O4/c1-22-12-3-4-14(23-2)13(9-12)18-16(21)11-5-7-19(8-6-11)10-15(17)20/h3-4,9,11H,5-8,10H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyPCPBUCRLSGUFJT-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

1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909624
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
1-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 16909192
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134267
N-(5-chloro-2-methoxyphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910110
1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 113007690
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
1-[(4-chloro-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 100684049
1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 1072822
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 653950
1-N-(2,5-dimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 3830798

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide (CID 16909214) is 1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide is COc1ccc(OC)c(NC(=O)C2CCN(CC(N)=O)CC2)c1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is PCPBUCRLSGUFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-22-12-3-4-14(23-2)13(9-12)18-16(21)11-5-7-19(8-6-11)10-15(17)20/h3-4,9,11H,5-8,10H2,1-2H3,(H2,17,20)(H,18,21).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)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-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 16909214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).