tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate

C15H22N2O4 — CID 171497821

IUPACtert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2ccc(O)cc2=O)CC1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)16-7-4-11(5-8-16)17-9-6-12(18)10-13(17)19/h6,9-11,18H,4-5,7-8H2,1-3H3
InChIKeyVUSJIZCWRNRPRB-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.13
Rot. Bonds1

About tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate

tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate (PubChem CID 171497821) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate
PubChem CID171497821
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2ccc(O)cc2=O)CC1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)16-7-4-11(5-8-16)17-9-6-12(18)10-13(17)19/h6,9-11,18H,4-5,7-8H2,1-3H3
InChIKeyVUSJIZCWRNRPRB-UHFFFAOYSA-N
XLogP2.13
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[4-[[(3S)-2,6-dioxo-3-silylpiperidin-3-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate
CID 174315495
tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate
CID 164914870
tert-butyl 4-(3-methyl-1,2,4-triazol-4-yl)piperidine-1-carboxylate
CID 170740823
tert-butyl 4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate
CID 58270310
tert-butyl 4-(3-hydroxy-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 66800319
tert-butyl 4-[2-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56580212
tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate
CID 91537808
tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate
CID 23084136
tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate
CID 23084185
tert-butyl 4-[2-[(3-morpholin-4-ylphenyl)carbamoyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56513587
tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate
CID 123685463
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate (CID 171497821) is tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2ccc(O)cc2=O)CC1.
What is the InChIKey of tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate?
The InChIKey is VUSJIZCWRNRPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)16-7-4-11(5-8-16)17-9-6-12(18)10-13(17)19/h6,9-11,18H,4-5,7-8H2,1-3H3.
What are the key properties of tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate?
tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 171497821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).