1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid

C14H23N3O2 — CID 114426545

IUPAC1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid
SMILESCCc1cc(CN2CCC(C)CC2C(=O)O)n(C)n1
InChIInChI=1S/C14H23N3O2/c1-4-11-8-12(16(3)15-11)9-17-6-5-10(2)7-13(17)14(18)19/h8,10,13H,4-7,9H2,1-3H3,(H,18,19)
InChIKeySBSDUXMTMSIYDC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.67
Rot. Bonds4

About 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid

1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114426545) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114426545
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid
SMILESCCc1cc(CN2CCC(C)CC2C(=O)O)n(C)n1
InChIInChI=1S/C14H23N3O2/c1-4-11-8-12(16(3)15-11)9-17-6-5-10(2)7-13(17)14(18)19/h8,10,13H,4-7,9H2,1-3H3,(H,18,19)
InChIKeySBSDUXMTMSIYDC-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426481
1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431052
4-methyl-1-propylpiperidine-2-carboxylic acid
CID 114426252
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 114426836
1-[(3,5-dimethylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426307
2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339641
1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426285
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426766
4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid
CID 106454824
1-[2-(3,5-dimethylphenoxy)ethyl]-4-methylpiperidine-2-carboxylic acid
CID 114426275
1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426468
1-but-3-ynyl-4-methylpiperidine-2-carboxylic acid
CID 114426543

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid (CID 114426545) is 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid is CCc1cc(CN2CCC(C)CC2C(=O)O)n(C)n1.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is SBSDUXMTMSIYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-11-8-12(16(3)15-11)9-17-6-5-10(2)7-13(17)14(18)19/h8,10,13H,4-7,9H2,1-3H3,(H,18,19).
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid?
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114426545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).