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

C15H22N2O3 — CID 68874784

IUPACtert-butyl 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc[nH]c2=O)CC1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-9-6-11(7-10-17)12-5-4-8-16-13(12)18/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,16,18)
InChIKeyQLPNLWMKBBPIND-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.49
Rot. Bonds1

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

tert-butyl 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylate (PubChem CID 68874784) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylate
PubChem CID68874784
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc[nH]c2=O)CC1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-9-6-11(7-10-17)12-5-4-8-16-13(12)18/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,16,18)
InChIKeyQLPNLWMKBBPIND-UHFFFAOYSA-N
XLogP2.49
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(2-oxo-1H-pyridin-3-yl)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-oxo-1H-pyridin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylate (CID 68874784) is tert-butyl 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc[nH]c2=O)CC1.
What is the InChIKey of tert-butyl 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylate?
The InChIKey is QLPNLWMKBBPIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-9-6-11(7-10-17)12-5-4-8-16-13(12)18/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 68874784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).