2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

C14H22N4O3 — CID 106744621

IUPAC2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)NCCc1ccnn1C
InChIInChI=1S/C14H22N4O3/c1-10-9-11(13(19)20)5-8-18(10)14(21)15-6-3-12-4-7-16-17(12)2/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyAJOXSHIKFFIZHS-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.86
Rot. Bonds4

About 2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 106744621) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID106744621
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)NCCc1ccnn1C
InChIInChI=1S/C14H22N4O3/c1-10-9-11(13(19)20)5-8-18(10)14(21)15-6-3-12-4-7-16-17(12)2/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyAJOXSHIKFFIZHS-UHFFFAOYSA-N
XLogP0.86
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103009203
2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106744300
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 104693313
1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106178428
1-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744540
6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104693312
2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 106744445
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 103009645
trans-(1R,2R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 86286952
3-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 104693320
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid
CID 103019597

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 106744621) is 2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)NCCc1ccnn1C.
What is the InChIKey of 2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is AJOXSHIKFFIZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-9-11(13(19)20)5-8-18(10)14(21)15-6-3-12-4-7-16-17(12)2/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,15,21)(H,19,20).
What are the key properties of 2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106744621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).