1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide

C16H24N3O2+ — CID 8531065

IUPAC1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)C[NH+]2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C16H23N3O2/c1-11-3-4-12(2)14(9-11)18-15(20)10-19-7-5-13(6-8-19)16(17)21/h3-4,9,13H,5-8,10H2,1-2H3,(H2,17,21)(H,18,20)/p+1
InChIKeyDUMGCZGGAKDLBS-UHFFFAOYSA-O
MW290.39 g/mol
LogP0.02
Rot. Bonds4

About 1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide

1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide (PubChem CID 8531065) has the molecular formula C16H24N3O2+ and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
PubChem CID8531065
Molecular FormulaC16H24N3O2+
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)C[NH+]2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C16H23N3O2/c1-11-3-4-12(2)14(9-11)18-15(20)10-19-7-5-13(6-8-19)16(17)21/h3-4,9,13H,5-8,10H2,1-2H3,(H2,17,21)(H,18,20)/p+1
InChIKeyDUMGCZGGAKDLBS-UHFFFAOYSA-O
XLogP0.02
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8531176
(3R)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305670
1-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide
CID 9443498
N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8543828
N-(2,5-dimethylphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9257531
1-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8531098
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 6945137
1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8530704
methyl 4-methyl-3-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]benzoate
CID 8543283
2-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 9258930
N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
CID 4742184
N-(2,4-dimethylphenyl)-2-piperazine-1,4-diium-1-ylacetamide
CID 2409066

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide (CID 8531065) is 1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide is Cc1ccc(C)c(NC(=O)C[NH+]2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The InChIKey is DUMGCZGGAKDLBS-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23N3O2/c1-11-3-4-12(2)14(9-11)18-15(20)10-19-7-5-13(6-8-19)16(17)21/h3-4,9,13H,5-8,10H2,1-2H3,(H2,17,21)(H,18,20)/p+1.
What are the key properties of 1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide?
1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 8531065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).