2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid

C14H23N3O2 — CID 113431135

IUPAC2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid
SMILESCC(C)n1ccc(CN2CCCCC2(C)C(=O)O)n1
InChIInChI=1S/C14H23N3O2/c1-11(2)17-9-6-12(15-17)10-16-8-5-4-7-14(16,3)13(18)19/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,18,19)
InChIKeyKJQIWOSINWARQI-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.29
Rot. Bonds4

About 2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid

2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 113431135) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid
PubChem CID113431135
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid
SMILESCC(C)n1ccc(CN2CCCCC2(C)C(=O)O)n1
InChIInChI=1S/C14H23N3O2/c1-11(2)17-9-6-12(15-17)10-16-8-5-4-7-14(16,3)13(18)19/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,18,19)
InChIKeyKJQIWOSINWARQI-UHFFFAOYSA-N
XLogP2.29
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid
CID 104598838
1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975659
3-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 64773302
2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79057412
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978887
1-[(3-chloro-4-pyridinyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 113431096
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933531
2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 113431089
2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid
CID 104598887
2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid
CID 64771683
1-[(3-bromo-4-pyridinyl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 136555618
1-[(3-bromophenyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 104598930

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid (CID 113431135) is 2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid is CC(C)n1ccc(CN2CCCCC2(C)C(=O)O)n1.
What is the InChIKey of 2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is KJQIWOSINWARQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)17-9-6-12(15-17)10-16-8-5-4-7-14(16,3)13(18)19/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid?
2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 113431135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).