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

C11H17N5O3 — CID 62118710

IUPAC1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCn1cnnc1CNC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H17N5O3/c1-15-7-13-14-9(15)5-12-11(19)16-4-2-3-8(6-16)10(17)18/h7-8H,2-6H2,1H3,(H,12,19)(H,17,18)
InChIKeySFZAZTFHAFHDJI-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.18
Rot. Bonds3

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

1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 62118710) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID62118710
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCn1cnnc1CNC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H17N5O3/c1-15-7-13-14-9(15)5-12-11(19)16-4-2-3-8(6-16)10(17)18/h7-8H,2-6H2,1H3,(H,12,19)(H,17,18)
InChIKeySFZAZTFHAFHDJI-UHFFFAOYSA-N
XLogP-0.18
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 55201525
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 43524949
3-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,3-dicarboxamide
CID 53524135
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 53524136
1-[(4-Methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 55037701
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 55057555
3-Methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 55156178
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 60859114
5-[3-(4-Methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 60949630
1-[(4-Methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 61004215
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 61004336
5-[(4-Methyl-1,2,4-triazol-3-yl)methylamino]-5-oxopentanoic acid
CID 61004543

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 62118710) is 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid is Cn1cnnc1CNC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is SFZAZTFHAFHDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-15-7-13-14-9(15)5-12-11(19)16-4-2-3-8(6-16)10(17)18/h7-8H,2-6H2,1H3,(H,12,19)(H,17,18).
What are the key properties of 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 62118710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).