tert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate

C17H26N2O3 — CID 19380941

IUPACtert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCc2ccc[nH]c2=O)CC1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-11-8-13(9-12-19)6-7-14-5-4-10-18-15(14)20/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,18,20)
InChIKeyXLUSPYAWWMFETH-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.95
Rot. Bonds3

About tert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate (PubChem CID 19380941) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate
PubChem CID19380941
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCc2ccc[nH]c2=O)CC1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-11-8-13(9-12-19)6-7-14-5-4-10-18-15(14)20/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,18,20)
InChIKeyXLUSPYAWWMFETH-UHFFFAOYSA-N
XLogP2.95
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate (CID 19380941) is tert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCc2ccc[nH]c2=O)CC1.
What is the InChIKey of tert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate?
The InChIKey is XLUSPYAWWMFETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-11-8-13(9-12-19)6-7-14-5-4-10-18-15(14)20/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 19380941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).