tert-butyl 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine-1-carboxylate

C18H30N4O2 — CID 146288080

IUPACtert-butyl 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine-1-carboxylate
SMILESCn1cc(C2CCCN2C2CCN(C(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C18H30N4O2/c1-18(2,3)24-17(23)21-10-7-15(8-11-21)22-9-5-6-16(22)14-12-19-20(4)13-14/h12-13,15-16H,5-11H2,1-4H3
InChIKeyBOYLWVGLPHBLEI-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.96
Rot. Bonds2

About tert-butyl 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine-1-carboxylate (PubChem CID 146288080) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine-1-carboxylate
PubChem CID146288080
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Nametert-butyl 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine-1-carboxylate
SMILESCn1cc(C2CCCN2C2CCN(C(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C18H30N4O2/c1-18(2,3)24-17(23)21-10-7-15(8-11-21)22-9-5-6-16(22)14-12-19-20(4)13-14/h12-13,15-16H,5-11H2,1-4H3
InChIKeyBOYLWVGLPHBLEI-UHFFFAOYSA-N
XLogP2.96
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine-1-carboxylate (CID 146288080) is tert-butyl 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine-1-carboxylate is Cn1cc(C2CCCN2C2CCN(C(=O)OC(C)(C)C)CC2)cn1.
What is the InChIKey of tert-butyl 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine-1-carboxylate?
The InChIKey is BOYLWVGLPHBLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-18(2,3)24-17(23)21-10-7-15(8-11-21)22-9-5-6-16(22)14-12-19-20(4)13-14/h12-13,15-16H,5-11H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine-1-carboxylate has a molecular weight of 334.46 g/mol, XLogP of 2.96, 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-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 146288080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).