tert-butyl 4-benzoylpiperidine-1-carboxylate

C17H23NO3 — CID 10827307

IUPACtert-butyl 4-benzoylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H23NO3/c1-17(2,3)21-16(20)18-11-9-14(10-12-18)15(19)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKeyITLCXSHKUNNAHG-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.52
Rot. Bonds2

About tert-butyl 4-benzoylpiperidine-1-carboxylate

tert-butyl 4-benzoylpiperidine-1-carboxylate (PubChem CID 10827307) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is tert-butyl 4-benzoylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-benzoylpiperidine-1-carboxylate
PubChem CID10827307
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nametert-butyl 4-benzoylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H23NO3/c1-17(2,3)21-16(20)18-11-9-14(10-12-18)15(19)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKeyITLCXSHKUNNAHG-UHFFFAOYSA-N
XLogP3.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-benzoylpiperidine-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-benzoylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-benzoylpiperidine-1-carboxylate (CID 10827307) is tert-butyl 4-benzoylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-benzoylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-benzoylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-benzoylpiperidine-1-carboxylate?
The InChIKey is ITLCXSHKUNNAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-17(2,3)21-16(20)18-11-9-14(10-12-18)15(19)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3.
What are the key properties of tert-butyl 4-benzoylpiperidine-1-carboxylate?
tert-butyl 4-benzoylpiperidine-1-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-benzoylpiperidine-1-carboxylate is sourced from PubChem (CID 10827307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).