1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid

C12H17N5O4 — CID 66289534

IUPAC1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
SMILESCNC(=O)C1CCN(C(=O)Cn2cc(C(=O)O)nn2)CC1
InChIInChI=1S/C12H17N5O4/c1-13-11(19)8-2-4-16(5-3-8)10(18)7-17-6-9(12(20)21)14-15-17/h6,8H,2-5,7H2,1H3,(H,13,19)(H,20,21)
InChIKeyMRMOMPUXNKPJJK-UHFFFAOYSA-N
MW295.30 g/mol
LogP-1.04
Rot. Bonds4

About 1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid

1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid (PubChem CID 66289534) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
PubChem CID66289534
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC Name1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
SMILESCNC(=O)C1CCN(C(=O)Cn2cc(C(=O)O)nn2)CC1
InChIInChI=1S/C12H17N5O4/c1-13-11(19)8-2-4-16(5-3-8)10(18)7-17-6-9(12(20)21)14-15-17/h6,8H,2-5,7H2,1H3,(H,13,19)(H,20,21)
InChIKeyMRMOMPUXNKPJJK-UHFFFAOYSA-N
XLogP-1.04
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(azepan-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059933
1-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289334
1-[2-oxo-2-(3,4,5-trimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid
CID 114539319
1-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid
CID 102745110
1-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 66290172
1-[2-oxo-2-(1,4-thiazepan-4-yl)ethyl]triazole-4-carboxylic acid
CID 66288078
1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289739
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289328
1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 66289138
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide
CID 115458891
1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 66290176
1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 66287894

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid (CID 66289534) is 1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid is CNC(=O)C1CCN(C(=O)Cn2cc(C(=O)O)nn2)CC1.
What is the InChIKey of 1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid?
The InChIKey is MRMOMPUXNKPJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4/c1-13-11(19)8-2-4-16(5-3-8)10(18)7-17-6-9(12(20)21)14-15-17/h6,8H,2-5,7H2,1H3,(H,13,19)(H,20,21).
What are the key properties of 1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid?
1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 66289534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).