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

C13H21N3O2 — CID 107072171

IUPAC3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid
SMILESCC1CCCN(CCc2cnn(C)c2)C1C(=O)O
InChIInChI=1S/C13H21N3O2/c1-10-4-3-6-16(12(10)13(17)18)7-5-11-8-14-15(2)9-11/h8-10,12H,3-7H2,1-2H3,(H,17,18)
InChIKeyXWOUVBFDNMINED-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.15
Rot. Bonds4

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

3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid (PubChem CID 107072171) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid
PubChem CID107072171
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid
SMILESCC1CCCN(CCc2cnn(C)c2)C1C(=O)O
InChIInChI=1S/C13H21N3O2/c1-10-4-3-6-16(12(10)13(17)18)7-5-11-8-14-15(2)9-11/h8-10,12H,3-7H2,1-2H3,(H,17,18)
InChIKeyXWOUVBFDNMINED-UHFFFAOYSA-N
XLogP1.15
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid
CID 107072568
1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3,4-dicarboxylic acid
CID 103004943
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 103002711
4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 103004815
4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid
CID 103004849
2-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxylic acid
CID 103019561
3-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 102787172
1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid
CID 107072525
1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 107193091
1-[2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 86768380
3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102784885
5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 96508274

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid (CID 107072171) is 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid is CC1CCCN(CCc2cnn(C)c2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid?
The InChIKey is XWOUVBFDNMINED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-4-3-6-16(12(10)13(17)18)7-5-11-8-14-15(2)9-11/h8-10,12H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid?
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107072171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).