1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-3-carboxylic acid

C11H17N5O3 — CID 64517144

IUPAC1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCN(Cc1ncn[nH]1)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H17N5O3/c1-15(6-9-12-7-13-14-9)11(19)16-4-2-3-8(5-16)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)(H,12,13,14)
InChIKeyQAAFADGFEGUIRG-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.15
Rot. Bonds3

About 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-3-carboxylic acid

1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 64517144) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID64517144
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCN(Cc1ncn[nH]1)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H17N5O3/c1-15(6-9-12-7-13-14-9)11(19)16-4-2-3-8(5-16)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)(H,12,13,14)
InChIKeyQAAFADGFEGUIRG-UHFFFAOYSA-N
XLogP0.15
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 54885056
1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 54885210
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 55057555
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55115004
3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanoic acid
CID 55245021
1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide
CID 60982932
1-(2-methylpropanoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 60983453
1-[(4-Methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 61004215
1-[(4-Methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62118710
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 62119593
1-[(4-Methyl-1,2,4-triazol-3-yl)methyl]-6-oxopiperidine-3-carboxylic acid
CID 62302377
3,3-dimethyl-5-oxo-5-(1H-1,2,4-triazol-5-ylmethylamino)pentanoic acid
CID 62933395

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-3-carboxylic acid (CID 64517144) is 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-3-carboxylic acid is CN(Cc1ncn[nH]1)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is QAAFADGFEGUIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-15(6-9-12-7-13-14-9)11(19)16-4-2-3-8(5-16)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)(H,12,13,14).
What are the key properties of 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-3-carboxylic acid?
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 64517144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).