1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

C14H22N4O3 — CID 122102415

IUPAC1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCc1cc(NC(=O)N2CC(C)CC(C(=O)O)C2)n(C)n1
InChIInChI=1S/C14H22N4O3/c1-4-11-6-12(17(3)16-11)15-14(21)18-7-9(2)5-10(8-18)13(19)20/h6,9-10H,4-5,7-8H2,1-3H3,(H,15,21)(H,19,20)
InChIKeyLWIIOGZTEZPZCP-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.56
Rot. Bonds3

About 1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122102415) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122102415
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCc1cc(NC(=O)N2CC(C)CC(C(=O)O)C2)n(C)n1
InChIInChI=1S/C14H22N4O3/c1-4-11-6-12(17(3)16-11)15-14(21)18-7-9(2)5-10(8-18)13(19)20/h6,9-10H,4-5,7-8H2,1-3H3,(H,15,21)(H,19,20)
InChIKeyLWIIOGZTEZPZCP-UHFFFAOYSA-N
XLogP1.56
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-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

5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122102727
1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101857
N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide
CID 111422829
1-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102744
1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 166238376
1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101962
1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102685
1-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102953
1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123357
1-[(3-chloro-2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101876
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
1-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102887

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122102415) is 1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is CCc1cc(NC(=O)N2CC(C)CC(C(=O)O)C2)n(C)n1.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is LWIIOGZTEZPZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-11-6-12(17(3)16-11)15-14(21)18-7-9(2)5-10(8-18)13(19)20/h6,9-10H,4-5,7-8H2,1-3H3,(H,15,21)(H,19,20).
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 294.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122102415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).