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

C12H19N5O3 — CID 104598291

IUPAC2-methyl-1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCN(Cc1ncn[nH]1)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H19N5O3/c1-12(10(18)19)5-3-4-6-17(12)11(20)16(2)7-9-13-8-14-15-9/h8H,3-7H2,1-2H3,(H,18,19)(H,13,14,15)
InChIKeyOUQPNZNKWFGBDO-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.69
Rot. Bonds3

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

2-methyl-1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 104598291) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-methyl-1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID104598291
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-methyl-1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCN(Cc1ncn[nH]1)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H19N5O3/c1-12(10(18)19)5-3-4-6-17(12)11(20)16(2)7-9-13-8-14-15-9/h8H,3-7H2,1-2H3,(H,18,19)(H,13,14,15)
InChIKeyOUQPNZNKWFGBDO-UHFFFAOYSA-N
XLogP0.69
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64523521
2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid
CID 113431022
1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431043
2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid
CID 104598346
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]azepane-2-carboxylic acid
CID 64561965
1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597906
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide
CID 64510528
2-methyl-1-[methyl(2-propan-2-yloxyethyl)carbamoyl]piperidine-2-carboxylic acid
CID 104598372
N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64519222
N-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 64518648
N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 102611950
2-[1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 64517526

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid (CID 104598291) is 2-methyl-1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid is CN(Cc1ncn[nH]1)C(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is OUQPNZNKWFGBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-12(10(18)19)5-3-4-6-17(12)11(20)16(2)7-9-13-8-14-15-9/h8H,3-7H2,1-2H3,(H,18,19)(H,13,14,15).
What are the key properties of 2-methyl-1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid?
2-methyl-1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 281.32 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 104598291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).