4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid

C12H19N5O3 — CID 63124683

IUPAC4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCn1cnnc1CNC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H19N5O3/c1-12(10(18)19)3-5-17(6-4-12)11(20)13-7-9-15-14-8-16(9)2/h8H,3-7H2,1-2H3,(H,13,20)(H,18,19)
InChIKeyVKJHEHMMTWGBKF-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.21
Rot. Bonds3

About 4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid

4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 63124683) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID63124683
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCn1cnnc1CNC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H19N5O3/c1-12(10(18)19)3-5-17(6-4-12)11(20)13-7-9-15-14-8-16(9)2/h8H,3-7H2,1-2H3,(H,13,20)(H,18,19)
InChIKeyVKJHEHMMTWGBKF-UHFFFAOYSA-N
XLogP0.21
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 63124683) is 4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid is Cn1cnnc1CNC(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is VKJHEHMMTWGBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-12(10(18)19)3-5-17(6-4-12)11(20)13-7-9-15-14-8-16(9)2/h8H,3-7H2,1-2H3,(H,13,20)(H,18,19).
What are the key properties of 4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 281.32 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63124683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).