tert-butyl 4-[2-(1-acetyloxy-2-oxo-3-pyridinyl)ethyl]piperidine-1-carboxylate

C19H28N2O5 — CID 57211018

IUPACtert-butyl 4-[2-(1-acetyloxy-2-oxo-3-pyridinyl)ethyl]piperidine-1-carboxylate
SMILESCC(=O)On1cccc(CCC2CCN(C(=O)OC(C)(C)C)CC2)c1=O
InChIInChI=1S/C19H28N2O5/c1-14(22)26-21-11-5-6-16(17(21)23)8-7-15-9-12-20(13-10-15)18(24)25-19(2,3)4/h5-6,11,15H,7-10,12-13H2,1-4H3
InChIKeySMJBGHXDFRBRBY-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.40
Rot. Bonds4

About tert-butyl 4-[2-(1-acetyloxy-2-oxo-3-pyridinyl)ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-(1-acetyloxy-2-oxo-3-pyridinyl)ethyl]piperidine-1-carboxylate (PubChem CID 57211018) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is tert-butyl 4-[2-(1-acetyloxy-2-oxo-3-pyridinyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(1-acetyloxy-2-oxo-3-pyridinyl)ethyl]piperidine-1-carboxylate
PubChem CID57211018
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Nametert-butyl 4-[2-(1-acetyloxy-2-oxo-3-pyridinyl)ethyl]piperidine-1-carboxylate
SMILESCC(=O)On1cccc(CCC2CCN(C(=O)OC(C)(C)C)CC2)c1=O
InChIInChI=1S/C19H28N2O5/c1-14(22)26-21-11-5-6-16(17(21)23)8-7-15-9-12-20(13-10-15)18(24)25-19(2,3)4/h5-6,11,15H,7-10,12-13H2,1-4H3
InChIKeySMJBGHXDFRBRBY-UHFFFAOYSA-N
XLogP2.40
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[2-(1-acetyloxy-2-oxo-3-pyridinyl)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-(1-acetyloxy-2-oxo-3-pyridinyl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(1-acetyloxy-2-oxo-3-pyridinyl)ethyl]piperidine-1-carboxylate (CID 57211018) is tert-butyl 4-[2-(1-acetyloxy-2-oxo-3-pyridinyl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(1-acetyloxy-2-oxo-3-pyridinyl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(1-acetyloxy-2-oxo-3-pyridinyl)ethyl]piperidine-1-carboxylate is CC(=O)On1cccc(CCC2CCN(C(=O)OC(C)(C)C)CC2)c1=O.
What is the InChIKey of tert-butyl 4-[2-(1-acetyloxy-2-oxo-3-pyridinyl)ethyl]piperidine-1-carboxylate?
The InChIKey is SMJBGHXDFRBRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-14(22)26-21-11-5-6-16(17(21)23)8-7-15-9-12-20(13-10-15)18(24)25-19(2,3)4/h5-6,11,15H,7-10,12-13H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(1-acetyloxy-2-oxo-3-pyridinyl)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(1-acetyloxy-2-oxo-3-pyridinyl)ethyl]piperidine-1-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(1-acetyloxy-2-oxo-3-pyridinyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 57211018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).