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

C17H24N2O3 — CID 103724076

IUPACtert-butyl 2-(2-oxo-2-pyridin-4-ylethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CC(=O)c1ccncc1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-11-5-4-6-14(19)12-15(20)13-7-9-18-10-8-13/h7-10,14H,4-6,11-12H2,1-3H3
InChIKeyWBDRGELASTVLBU-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.44
Rot. Bonds3

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

tert-butyl 2-(2-oxo-2-pyridin-4-ylethyl)piperidine-1-carboxylate (PubChem CID 103724076) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl 2-(2-oxo-2-pyridin-4-ylethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-oxo-2-pyridin-4-ylethyl)piperidine-1-carboxylate
PubChem CID103724076
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl 2-(2-oxo-2-pyridin-4-ylethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CC(=O)c1ccncc1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-11-5-4-6-14(19)12-15(20)13-7-9-18-10-8-13/h7-10,14H,4-6,11-12H2,1-3H3
InChIKeyWBDRGELASTVLBU-UHFFFAOYSA-N
XLogP3.44
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(2-oxo-2-pyridin-3-ylethyl)azepane-1-carboxylate
CID 103724108
tert-butyl 2-[2-(furan-3-yl)-2-oxoethyl]azepane-1-carboxylate
CID 103747646
tert-butyl 2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 103724029
tert-butyl 2-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 103724026
tert-butyl (2R)-2-[[(R)-pyridin-4-ylsulfinyl]methyl]piperidine-1-carboxylate
CID 97173777
tert-butyl 2-(2-oxo-2-thiophen-2-ylethyl)azepane-1-carboxylate
CID 102567607
tert-butyl 2-[2-oxo-2-(1,3-thiazol-5-yl)ethyl]azepane-1-carboxylate
CID 104865992
tert-butyl (2R)-2-[(pyridin-4-ylmethylamino)methyl]pyrrolidine-1-carboxylate
CID 97172788
tert-butyl 2-[2-(3-cyanophenyl)-2-oxoethyl]azocane-1-carboxylate
CID 114239633
tert-butyl 2-[2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-2-oxoethyl]piperidine-1-carboxylate
CID 86629006
tert-butyl 2-(2-pyridin-4-ylethynyl)piperidine-1-carboxylate
CID 130758631
tert-butyl (2S)-2-(2-oxopropyl)azepane-1-carboxylate
CID 96581062

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-oxo-2-pyridin-4-ylethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-oxo-2-pyridin-4-ylethyl)piperidine-1-carboxylate (CID 103724076) is tert-butyl 2-(2-oxo-2-pyridin-4-ylethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-oxo-2-pyridin-4-ylethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-oxo-2-pyridin-4-ylethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CC(=O)c1ccncc1.
What is the InChIKey of tert-butyl 2-(2-oxo-2-pyridin-4-ylethyl)piperidine-1-carboxylate?
The InChIKey is WBDRGELASTVLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-11-5-4-6-14(19)12-15(20)13-7-9-18-10-8-13/h7-10,14H,4-6,11-12H2,1-3H3.
What are the key properties of tert-butyl 2-(2-oxo-2-pyridin-4-ylethyl)piperidine-1-carboxylate?
tert-butyl 2-(2-oxo-2-pyridin-4-ylethyl)piperidine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-oxo-2-pyridin-4-ylethyl)piperidine-1-carboxylate is sourced from PubChem (CID 103724076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).