tert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate

C22H33N3O4S — CID 58617606

IUPACtert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate
SMILESCCOC(=O)C(C1CCN(C(=O)OC(C)(C)C)CC1)N1CC=C(c2nccs2)CC1
InChIInChI=1S/C22H33N3O4S/c1-5-28-20(26)18(24-11-8-17(9-12-24)19-23-10-15-30-19)16-6-13-25(14-7-16)21(27)29-22(2,3)4/h8,10,15-16,18H,5-7,9,11-14H2,1-4H3
InChIKeyLSMGMISRRNSTHA-UHFFFAOYSA-N
MW435.59 g/mol
LogP3.81
Rot. Bonds5

About tert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate (PubChem CID 58617606) has the molecular formula C22H33N3O4S and a molecular weight of 435.59 g/mol. Its IUPAC name is tert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate
PubChem CID58617606
Molecular FormulaC22H33N3O4S
Molecular Weight435.59 g/mol
Exact Mass435.22
IUPAC Nametert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate
SMILESCCOC(=O)C(C1CCN(C(=O)OC(C)(C)C)CC1)N1CC=C(c2nccs2)CC1
InChIInChI=1S/C22H33N3O4S/c1-5-28-20(26)18(24-11-8-17(9-12-24)19-23-10-15-30-19)16-6-13-25(14-7-16)21(27)29-22(2,3)4/h8,10,15-16,18H,5-7,9,11-14H2,1-4H3
InChIKeyLSMGMISRRNSTHA-UHFFFAOYSA-N
XLogP3.81
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate
CID 157353915
tert-butyl 4-[2-ethoxy-1-(4-furo[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 58617638
tert-butyl 4-[1-[4-(1,3-thiazol-2-yl)phenyl]piperidin-4-yl]piperidine-1-carboxylate
CID 59178949
tert-butyl 4-(2-ethoxy-1-iodo-2-oxoethyl)piperidine-1-carboxylate
CID 45357856
tert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 177337295
tert-butyl 3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxylate
CID 66862825
tert-butyl 4-[1-(4-bromophenyl)-2-ethoxy-2-oxoethyl]piperidine-1-carboxylate
CID 121454620
ethyl 4-(2-chloro-3,4-difluorophenyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
CID 146344558
ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3a,4-dihydro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 170948357
tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate
CID 97175331
tert-butyl 4-[methyl(1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 67032405
tert-butyl (3S)-3-[[(R)-1,3-thiazol-2-ylsulfinyl]methyl]pyrrolidine-1-carboxylate
CID 97171550

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate (CID 58617606) is tert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate is CCOC(=O)C(C1CCN(C(=O)OC(C)(C)C)CC1)N1CC=C(c2nccs2)CC1.
What is the InChIKey of tert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate?
The InChIKey is LSMGMISRRNSTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4S/c1-5-28-20(26)18(24-11-8-17(9-12-24)19-23-10-15-30-19)16-6-13-25(14-7-16)21(27)29-22(2,3)4/h8,10,15-16,18H,5-7,9,11-14H2,1-4H3.
What are the key properties of tert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate has a molecular weight of 435.59 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 58617606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).