1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid

C19H30N4O3 — CID 167905746

IUPAC1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid
SMILESCC(C)(CC(=O)N1CCC(n2cc(C(=O)O)nn2)CC1)C1CCCCC1
InChIInChI=1S/C19H30N4O3/c1-19(2,14-6-4-3-5-7-14)12-17(24)22-10-8-15(9-11-22)23-13-16(18(25)26)20-21-23/h13-15H,3-12H2,1-2H3,(H,25,26)
InChIKeyFAYGQHUTVAZBHD-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.14
Rot. Bonds5

About 1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid

1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid (PubChem CID 167905746) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid
PubChem CID167905746
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid
SMILESCC(C)(CC(=O)N1CCC(n2cc(C(=O)O)nn2)CC1)C1CCCCC1
InChIInChI=1S/C19H30N4O3/c1-19(2,14-6-4-3-5-7-14)12-17(24)22-10-8-15(9-11-22)23-13-16(18(25)26)20-21-23/h13-15H,3-12H2,1-2H3,(H,25,26)
InChIKeyFAYGQHUTVAZBHD-UHFFFAOYSA-N
XLogP3.14
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid (CID 167905746) is 1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid is CC(C)(CC(=O)N1CCC(n2cc(C(=O)O)nn2)CC1)C1CCCCC1.
What is the InChIKey of 1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid?
The InChIKey is FAYGQHUTVAZBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-19(2,14-6-4-3-5-7-14)12-17(24)22-10-8-15(9-11-22)23-13-16(18(25)26)20-21-23/h13-15H,3-12H2,1-2H3,(H,25,26).
What are the key properties of 1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid?
1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid has a molecular weight of 362.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 167905746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).