tert-butyl 4-(1-methylimidazole-4-carbonyl)piperidine-1-carboxylate

C15H23N3O3 — CID 122689106

IUPACtert-butyl 4-(1-methylimidazole-4-carbonyl)piperidine-1-carboxylate
SMILESCn1cnc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(20)18-7-5-11(6-8-18)13(19)12-9-17(4)10-16-12/h9-11H,5-8H2,1-4H3
InChIKeyKXSNNCGTNAGUHB-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.25
Rot. Bonds2

About tert-butyl 4-(1-methylimidazole-4-carbonyl)piperidine-1-carboxylate

tert-butyl 4-(1-methylimidazole-4-carbonyl)piperidine-1-carboxylate (PubChem CID 122689106) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 4-(1-methylimidazole-4-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-methylimidazole-4-carbonyl)piperidine-1-carboxylate
PubChem CID122689106
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl 4-(1-methylimidazole-4-carbonyl)piperidine-1-carboxylate
SMILESCn1cnc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(20)18-7-5-11(6-8-18)13(19)12-9-17(4)10-16-12/h9-11H,5-8H2,1-4H3
InChIKeyKXSNNCGTNAGUHB-UHFFFAOYSA-N
XLogP2.25
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(1-methylimidazole-4-carbonyl)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-(1-methylimidazole-4-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-methylimidazole-4-carbonyl)piperidine-1-carboxylate (CID 122689106) is tert-butyl 4-(1-methylimidazole-4-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-methylimidazole-4-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-methylimidazole-4-carbonyl)piperidine-1-carboxylate is Cn1cnc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-(1-methylimidazole-4-carbonyl)piperidine-1-carboxylate?
The InChIKey is KXSNNCGTNAGUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)21-14(20)18-7-5-11(6-8-18)13(19)12-9-17(4)10-16-12/h9-11H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(1-methylimidazole-4-carbonyl)piperidine-1-carboxylate?
tert-butyl 4-(1-methylimidazole-4-carbonyl)piperidine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-methylimidazole-4-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 122689106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).