tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate

C13H21N3O3 — CID 164914870

IUPACtert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2ccc(=O)[nH]2)CC1
InChIInChI=1S/C13H21N3O3/c1-13(2,3)19-12(18)15-7-4-10(5-8-15)16-9-6-11(17)14-16/h6,9-10H,4-5,7-8H2,1-3H3,(H,14,17)
InChIKeyFWOZDYVPRDIION-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.75
Rot. Bonds1

About tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate

tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate (PubChem CID 164914870) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate
PubChem CID164914870
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Nametert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2ccc(=O)[nH]2)CC1
InChIInChI=1S/C13H21N3O3/c1-13(2,3)19-12(18)15-7-4-10(5-8-15)16-9-6-11(17)14-16/h6,9-10H,4-5,7-8H2,1-3H3,(H,14,17)
InChIKeyFWOZDYVPRDIION-UHFFFAOYSA-N
XLogP1.75
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate
CID 171497821
tert-butyl 4-(3-oxo-2H-indazol-1-yl)piperidine-1-carboxylate
CID 155248638
tert-butyl 4-(3-hydroxy-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 66800319
tert-butyl 4-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]azetidin-1-yl]piperidine-1-carboxylate
CID 177362869
tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate
CID 91537808
tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
CID 67472855
tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
CID 97300200
tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 53432568
tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate
CID 166132108
tert-butyl 4-[4-(3,5-dioxopiperazin-2-yl)phenyl]piperidine-1-carboxylate
CID 176912990
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
tert-butyl 3-(2-methyl-5-oxo-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
CID 170985066

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate (CID 164914870) is tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2ccc(=O)[nH]2)CC1.
What is the InChIKey of tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate?
The InChIKey is FWOZDYVPRDIION-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(2,3)19-12(18)15-7-4-10(5-8-15)16-9-6-11(17)14-16/h6,9-10H,4-5,7-8H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 164914870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).