tert-butyl 4-[2-(4-carboxyoxypiperidin-1-yl)ethyl]piperidine-1-carboxylate

C18H32N2O5 — CID 22362415

IUPACtert-butyl 4-[2-(4-carboxyoxypiperidin-1-yl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCN2CCC(OC(=O)O)CC2)CC1
InChIInChI=1S/C18H32N2O5/c1-18(2,3)25-16(21)20-12-5-14(6-13-20)4-9-19-10-7-15(8-11-19)24-17(22)23/h14-15H,4-13H2,1-3H3,(H,22,23)
InChIKeyOSKPSYDHLIZWLA-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.18
Rot. Bonds4

About tert-butyl 4-[2-(4-carboxyoxypiperidin-1-yl)ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-(4-carboxyoxypiperidin-1-yl)ethyl]piperidine-1-carboxylate (PubChem CID 22362415) has the molecular formula C18H32N2O5 and a molecular weight of 356.46 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-carboxyoxypiperidin-1-yl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-carboxyoxypiperidin-1-yl)ethyl]piperidine-1-carboxylate
PubChem CID22362415
Molecular FormulaC18H32N2O5
Molecular Weight356.46 g/mol
Exact Mass356.23
IUPAC Nametert-butyl 4-[2-(4-carboxyoxypiperidin-1-yl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCN2CCC(OC(=O)O)CC2)CC1
InChIInChI=1S/C18H32N2O5/c1-18(2,3)25-16(21)20-12-5-14(6-13-20)4-9-19-10-7-15(8-11-19)24-17(22)23/h14-15H,4-13H2,1-3H3,(H,22,23)
InChIKeyOSKPSYDHLIZWLA-UHFFFAOYSA-N
XLogP3.18
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[2-(4-carboxyoxypiperidin-1-yl)ethyl]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-(4-carboxyoxypiperidin-1-yl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-carboxyoxypiperidin-1-yl)ethyl]piperidine-1-carboxylate (CID 22362415) is tert-butyl 4-[2-(4-carboxyoxypiperidin-1-yl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-carboxyoxypiperidin-1-yl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-carboxyoxypiperidin-1-yl)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCN2CCC(OC(=O)O)CC2)CC1.
What is the InChIKey of tert-butyl 4-[2-(4-carboxyoxypiperidin-1-yl)ethyl]piperidine-1-carboxylate?
The InChIKey is OSKPSYDHLIZWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O5/c1-18(2,3)25-16(21)20-12-5-14(6-13-20)4-9-19-10-7-15(8-11-19)24-17(22)23/h14-15H,4-13H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl 4-[2-(4-carboxyoxypiperidin-1-yl)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(4-carboxyoxypiperidin-1-yl)ethyl]piperidine-1-carboxylate has a molecular weight of 356.46 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-carboxyoxypiperidin-1-yl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 22362415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).