tert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate

C16H25N3O3 — CID 171506433

IUPACtert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccnn2C2COC2)CC1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)18-8-5-12(6-9-18)14-4-7-17-19(14)13-10-21-11-13/h4,7,12-13H,5-6,8-11H2,1-3H3
InChIKeyVXKXWQDRMGKILU-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.57
Rot. Bonds2

About tert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate

tert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate (PubChem CID 171506433) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate
PubChem CID171506433
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccnn2C2COC2)CC1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)18-8-5-12(6-9-18)14-4-7-17-19(14)13-10-21-11-13/h4,7,12-13H,5-6,8-11H2,1-3H3
InChIKeyVXKXWQDRMGKILU-UHFFFAOYSA-N
XLogP2.57
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-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

US10030012, Example 14
CID 78318804
US10030012, Example 20
CID 78318868
Direclidine
CID 118295270
tert-Butyl 4-(1-methyl-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 91604925
1-Morpholin-4-yl-2-(3-propan-2-ylpyrazol-1-yl)ethanone
CID 97243102
N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 124847930
Tert-butyl 4-[1-[[1-(cyanomethyl)cyclopropyl]methyl]pyrazol-3-yl]piperidine-1-carboxylate
CID 132389504
Tert-butyl 8-(2,2-difluoroethyl)-10-(2-methylpyrazol-3-yl)-1-oxa-3,8-diazaspiro[5.5]undecane-3-carboxylate
CID 88924211
(2R)-3,3,3-trifluoro-2-hydroxy-1-[4-[2-(2-methoxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 118166981
3,3,3-Trifluoro-2-hydroxy-1-[4-[2-(2-methoxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 118166983
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-(2-propan-2-ylpyrazol-3-yl)piperidin-1-yl]propan-1-one
CID 118167098
3,3,3-Trifluoro-2-hydroxy-2-methyl-1-[4-(2-propan-2-ylpyrazol-3-yl)piperidin-1-yl]propan-1-one
CID 118167100

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate (CID 171506433) is tert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccnn2C2COC2)CC1.
What is the InChIKey of tert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate?
The InChIKey is VXKXWQDRMGKILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)18-8-5-12(6-9-18)14-4-7-17-19(14)13-10-21-11-13/h4,7,12-13H,5-6,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 171506433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).