3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid

C15H25N3O2 — CID 65068542

IUPAC3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(Cc2c(C)nn(C)c2C)C1
InChIInChI=1S/C15H25N3O2/c1-5-15(14(19)20)7-6-8-18(10-15)9-13-11(2)16-17(4)12(13)3/h5-10H2,1-4H3,(H,19,20)
InChIKeyYTIKKDQHASNNRN-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.11
Rot. Bonds4

About 3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid

3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 65068542) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
PubChem CID65068542
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(Cc2c(C)nn(C)c2C)C1
InChIInChI=1S/C15H25N3O2/c1-5-15(14(19)20)7-6-8-18(10-15)9-13-11(2)16-17(4)12(13)3/h5-10H2,1-4H3,(H,19,20)
InChIKeyYTIKKDQHASNNRN-UHFFFAOYSA-N
XLogP2.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid (CID 65068542) is 3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(Cc2c(C)nn(C)c2C)C1.
What is the InChIKey of 3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is YTIKKDQHASNNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-15(14(19)20)7-6-8-18(10-15)9-13-11(2)16-17(4)12(13)3/h5-10H2,1-4H3,(H,19,20).
What are the key properties of 3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 65068542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).