tert-butyl 4-[2-(3-methoxyoxetan-3-yl)-4-methyl-3-pyridinyl]-2-oxopiperidine-1-carboxylate

C20H28N2O5 — CID 171506595

IUPACtert-butyl 4-[2-(3-methoxyoxetan-3-yl)-4-methyl-3-pyridinyl]-2-oxopiperidine-1-carboxylate
SMILESCOC1(c2nccc(C)c2C2CCN(C(=O)OC(C)(C)C)C(=O)C2)COC1
InChIInChI=1S/C20H28N2O5/c1-13-6-8-21-17(20(25-5)11-26-12-20)16(13)14-7-9-22(15(23)10-14)18(24)27-19(2,3)4/h6,8,14H,7,9-12H2,1-5H3
InChIKeyRFKTYMIKXONJSD-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.90
Rot. Bonds3

About tert-butyl 4-[2-(3-methoxyoxetan-3-yl)-4-methyl-3-pyridinyl]-2-oxopiperidine-1-carboxylate

tert-butyl 4-[2-(3-methoxyoxetan-3-yl)-4-methyl-3-pyridinyl]-2-oxopiperidine-1-carboxylate (PubChem CID 171506595) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is tert-butyl 4-[2-(3-methoxyoxetan-3-yl)-4-methyl-3-pyridinyl]-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(3-methoxyoxetan-3-yl)-4-methyl-3-pyridinyl]-2-oxopiperidine-1-carboxylate
PubChem CID171506595
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Nametert-butyl 4-[2-(3-methoxyoxetan-3-yl)-4-methyl-3-pyridinyl]-2-oxopiperidine-1-carboxylate
SMILESCOC1(c2nccc(C)c2C2CCN(C(=O)OC(C)(C)C)C(=O)C2)COC1
InChIInChI=1S/C20H28N2O5/c1-13-6-8-21-17(20(25-5)11-26-12-20)16(13)14-7-9-22(15(23)10-14)18(24)27-19(2,3)4/h6,8,14H,7,9-12H2,1-5H3
InChIKeyRFKTYMIKXONJSD-UHFFFAOYSA-N
XLogP2.90
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (6R)-4-[2-(3-methoxyoxolan-3-yl)-4-methyl-3-pyridinyl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 171506353
tert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate
CID 102457240
tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate
CID 156708923
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
tert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate
CID 165372589
tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate
CID 135135280
tert-butyl 4-(2,3-difluoro-6-methylphenyl)piperidine-1-carboxylate
CID 58149940
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
CID 131229980
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
tert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate
CID 123997862
tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate
CID 175285120
tert-butyl 3-(3-methoxy-4-methylphenyl)pyrrolidine-1-carboxylate
CID 169494828

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(3-methoxyoxetan-3-yl)-4-methyl-3-pyridinyl]-2-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(3-methoxyoxetan-3-yl)-4-methyl-3-pyridinyl]-2-oxopiperidine-1-carboxylate (CID 171506595) is tert-butyl 4-[2-(3-methoxyoxetan-3-yl)-4-methyl-3-pyridinyl]-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(3-methoxyoxetan-3-yl)-4-methyl-3-pyridinyl]-2-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(3-methoxyoxetan-3-yl)-4-methyl-3-pyridinyl]-2-oxopiperidine-1-carboxylate is COC1(c2nccc(C)c2C2CCN(C(=O)OC(C)(C)C)C(=O)C2)COC1.
What is the InChIKey of tert-butyl 4-[2-(3-methoxyoxetan-3-yl)-4-methyl-3-pyridinyl]-2-oxopiperidine-1-carboxylate?
The InChIKey is RFKTYMIKXONJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-13-6-8-21-17(20(25-5)11-26-12-20)16(13)14-7-9-22(15(23)10-14)18(24)27-19(2,3)4/h6,8,14H,7,9-12H2,1-5H3.
What are the key properties of tert-butyl 4-[2-(3-methoxyoxetan-3-yl)-4-methyl-3-pyridinyl]-2-oxopiperidine-1-carboxylate?
tert-butyl 4-[2-(3-methoxyoxetan-3-yl)-4-methyl-3-pyridinyl]-2-oxopiperidine-1-carboxylate has a molecular weight of 376.45 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(3-methoxyoxetan-3-yl)-4-methyl-3-pyridinyl]-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 171506595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).