1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

C17H21N5O3 — CID 122087078

IUPAC1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1nc(C)n(-c2ccccc2NC(=O)N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C17H21N5O3/c1-11-18-12(2)22(20-11)15-8-4-3-7-14(15)19-17(25)21-9-5-6-13(10-21)16(23)24/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,19,25)(H,23,24)
InChIKeyWSUHPRNOCCRZMV-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.21
Rot. Bonds3

About 1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122087078) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122087078
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1nc(C)n(-c2ccccc2NC(=O)N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C17H21N5O3/c1-11-18-12(2)22(20-11)15-8-4-3-7-14(15)19-17(25)21-9-5-6-13(10-21)16(23)24/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,19,25)(H,23,24)
InChIKeyWSUHPRNOCCRZMV-UHFFFAOYSA-N
XLogP2.21
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]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

1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102597
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
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
1-[[2-(4-methylphenoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074253
1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122093530
1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030879
1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 122090928
ethyl (3S)-1-[(2-pyrazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylate
CID 122145844

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (CID 122087078) is 1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is Cc1nc(C)n(-c2ccccc2NC(=O)N2CCCC(C(=O)O)C2)n1.
What is the InChIKey of 1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is WSUHPRNOCCRZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-18-12(2)22(20-11)15-8-4-3-7-14(15)19-17(25)21-9-5-6-13(10-21)16(23)24/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,19,25)(H,23,24).
What are the key properties of 1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 343.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122087078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).