3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid

C14H22N4O3 — CID 107071854

IUPAC3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)NCCCn2cccn2)C1C(=O)O
InChIInChI=1S/C14H22N4O3/c1-11-5-2-10-18(12(11)13(19)20)14(21)15-6-3-8-17-9-4-7-16-17/h4,7,9,11-12H,2-3,5-6,8,10H2,1H3,(H,15,21)(H,19,20)
InChIKeyNTBYKMMIVIJWMA-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.17
Rot. Bonds5

About 3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid

3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 107071854) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID107071854
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)NCCCn2cccn2)C1C(=O)O
InChIInChI=1S/C14H22N4O3/c1-11-5-2-10-18(12(11)13(19)20)14(21)15-6-3-8-17-9-4-7-16-17/h4,7,9,11-12H,2-3,5-6,8,10H2,1H3,(H,15,21)(H,19,20)
InChIKeyNTBYKMMIVIJWMA-UHFFFAOYSA-N
XLogP1.17
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-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-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
CID 107071691
1-[3-(methanesulfonamido)propylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 106340278
3-methyl-1-(3-methylsulfanylpropylcarbamoyl)piperidine-2-carboxylic acid
CID 107071676
(2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
CID 94030721
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
CID 94060177
3-methyl-1-(2-methylsulfanylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071675
(2R)-N-(3-pyrazol-1-ylpropyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94030715
3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 110895928
3-methyl-1-(2-methylsulfinylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071882
1-(but-3-ynylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
CID 107071685
(3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 95153240
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 47165617

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid (CID 107071854) is 3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid is CC1CCCN(C(=O)NCCCn2cccn2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is NTBYKMMIVIJWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-11-5-2-10-18(12(11)13(19)20)14(21)15-6-3-8-17-9-4-7-16-17/h4,7,9,11-12H,2-3,5-6,8,10H2,1H3,(H,15,21)(H,19,20).
What are the key properties of 3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid?
3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107071854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).