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

C11H17N5O3 — CID 64519836

IUPAC1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCN(Cc1ncn[nH]1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H17N5O3/c1-15(6-9-12-7-13-14-9)11(19)16-5-3-2-4-8(16)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)(H,12,13,14)
InChIKeyKLTFNAMIMJLQOA-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.30
Rot. Bonds3

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

1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 64519836) 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-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID64519836
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCN(Cc1ncn[nH]1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H17N5O3/c1-15(6-9-12-7-13-14-9)11(19)16-5-3-2-4-8(16)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)(H,12,13,14)
InChIKeyKLTFNAMIMJLQOA-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid (CID 64519836) is 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid is CN(Cc1ncn[nH]1)C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is KLTFNAMIMJLQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-15(6-9-12-7-13-14-9)11(19)16-5-3-2-4-8(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-2-carboxylic acid?
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 0.30, 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-2-carboxylic acid is sourced from PubChem (CID 64519836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).