ethyl 4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxylate

C17H28N4O3 — CID 24625285

IUPACethyl 4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C17H28N4O3/c1-5-24-17(23)21-10-8-14(9-11-21)18-16(22)7-6-15-12(2)19-20(4)13(15)3/h14H,5-11H2,1-4H3,(H,18,22)
InChIKeyFUQJUMFMXCTZPN-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.71
Rot. Bonds5

About ethyl 4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxylate

ethyl 4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxylate (PubChem CID 24625285) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is ethyl 4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxylate
PubChem CID24625285
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Nameethyl 4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C17H28N4O3/c1-5-24-17(23)21-10-8-14(9-11-21)18-16(22)7-6-15-12(2)19-20(4)13(15)3/h14H,5-11H2,1-4H3,(H,18,22)
InChIKeyFUQJUMFMXCTZPN-UHFFFAOYSA-N
XLogP1.71
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxylate (CID 24625285) is ethyl 4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCc2c(C)nn(C)c2C)CC1.
What is the InChIKey of ethyl 4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxylate?
The InChIKey is FUQJUMFMXCTZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-5-24-17(23)21-10-8-14(9-11-21)18-16(22)7-6-15-12(2)19-20(4)13(15)3/h14H,5-11H2,1-4H3,(H,18,22).
What are the key properties of ethyl 4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxylate has a molecular weight of 336.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 24625285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).