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

C15H22N2O3 — CID 156900056

IUPACtert-butyl 4-(4-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(=O)cc[nH]2)CC1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-8-5-11(6-9-17)13-10-12(18)4-7-16-13/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,16,18)
InChIKeyQLVJBDYARPWNAI-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.49
Rot. Bonds1

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

tert-butyl 4-(4-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate (PubChem CID 156900056) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl 4-(4-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate
PubChem CID156900056
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl 4-(4-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(=O)cc[nH]2)CC1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-8-5-11(6-9-17)13-10-12(18)4-7-16-13/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,16,18)
InChIKeyQLVJBDYARPWNAI-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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate (CID 156900056) is tert-butyl 4-(4-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc(=O)cc[nH]2)CC1.
What is the InChIKey of tert-butyl 4-(4-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate?
The InChIKey is QLVJBDYARPWNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-8-5-11(6-9-17)13-10-12(18)4-7-16-13/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl 4-(4-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-oxo-1H-pyridin-2-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-(4-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 156900056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).