1-[(1-cyclohexyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid

C15H23N5O3 — CID 122089762

IUPAC1-[(1-cyclohexyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2ncn(C3CCCCC3)n2)C1
InChIInChI=1S/C15H23N5O3/c21-13(22)11-5-4-8-19(9-11)15(23)17-14-16-10-20(18-14)12-6-2-1-3-7-12/h10-12H,1-9H2,(H,21,22)(H,17,18,23)
InChIKeyFHVGOUPNFWFZOX-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.11
Rot. Bonds3

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

1-[(1-cyclohexyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122089762) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[(1-cyclohexyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-cyclohexyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122089762
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name1-[(1-cyclohexyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2ncn(C3CCCCC3)n2)C1
InChIInChI=1S/C15H23N5O3/c21-13(22)11-5-4-8-19(9-11)15(23)17-14-16-10-20(18-14)12-6-2-1-3-7-12/h10-12H,1-9H2,(H,21,22)(H,17,18,23)
InChIKeyFHVGOUPNFWFZOX-UHFFFAOYSA-N
XLogP2.11
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1-cyclohexyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-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

Related Compounds

(3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124617527
1-[(1-tert-butyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089621
(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121037
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089896
1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122092513
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120122
1-[(2,4,5-trimethoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087120
1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43535289
(3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120044
(3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120212

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(1-cyclohexyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid (CID 122089762) is 1-[(1-cyclohexyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-cyclohexyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-cyclohexyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Nc2ncn(C3CCCCC3)n2)C1.
What is the InChIKey of 1-[(1-cyclohexyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is FHVGOUPNFWFZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c21-13(22)11-5-4-8-19(9-11)15(23)17-14-16-10-20(18-14)12-6-2-1-3-7-12/h10-12H,1-9H2,(H,21,22)(H,17,18,23).
What are the key properties of 1-[(1-cyclohexyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid?
1-[(1-cyclohexyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122089762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).