tert-butyl 4-(1-acetylpyrazol-3-yl)piperidine-1-carboxylate

C15H23N3O3 — CID 135382403

IUPACtert-butyl 4-(1-acetylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCC(=O)n1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H23N3O3/c1-11(19)18-10-7-13(16-18)12-5-8-17(9-6-12)14(20)21-15(2,3)4/h7,10,12H,5-6,8-9H2,1-4H3
InChIKeyJUIANEDITKAGIW-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.66
Rot. Bonds1

About tert-butyl 4-(1-acetylpyrazol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(1-acetylpyrazol-3-yl)piperidine-1-carboxylate (PubChem CID 135382403) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 4-(1-acetylpyrazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-acetylpyrazol-3-yl)piperidine-1-carboxylate
PubChem CID135382403
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl 4-(1-acetylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCC(=O)n1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H23N3O3/c1-11(19)18-10-7-13(16-18)12-5-8-17(9-6-12)14(20)21-15(2,3)4/h7,10,12H,5-6,8-9H2,1-4H3
InChIKeyJUIANEDITKAGIW-UHFFFAOYSA-N
XLogP2.66
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-acetylpyrazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-acetylpyrazol-3-yl)piperidine-1-carboxylate (CID 135382403) is tert-butyl 4-(1-acetylpyrazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-acetylpyrazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-acetylpyrazol-3-yl)piperidine-1-carboxylate is CC(=O)n1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-(1-acetylpyrazol-3-yl)piperidine-1-carboxylate?
The InChIKey is JUIANEDITKAGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(19)18-10-7-13(16-18)12-5-8-17(9-6-12)14(20)21-15(2,3)4/h7,10,12H,5-6,8-9H2,1-4H3.
What are the key properties of tert-butyl 4-(1-acetylpyrazol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(1-acetylpyrazol-3-yl)piperidine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-acetylpyrazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 135382403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).