ethyl 8-[1-hydroxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazine-6-carboxylate

C23H33N3O5 — CID 118646767

IUPACethyl 8-[1-hydroxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazine-6-carboxylate
SMILESCCOC(=O)c1c(C)c(C(C)(O)C2CCN(C(=O)OC(C)(C)C)CC2)c2cnccn12
InChIInChI=1S/C23H33N3O5/c1-7-30-20(27)19-15(2)18(17-14-24-10-13-26(17)19)23(6,29)16-8-11-25(12-9-16)21(28)31-22(3,4)5/h10,13-14,16,29H,7-9,11-12H2,1-6H3
InChIKeyYGWMRSKDRNLIJU-UHFFFAOYSA-N
MW431.53 g/mol
LogP3.67
Rot. Bonds4

About ethyl 8-[1-hydroxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazine-6-carboxylate

ethyl 8-[1-hydroxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazine-6-carboxylate (PubChem CID 118646767) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is ethyl 8-[1-hydroxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-[1-hydroxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazine-6-carboxylate
PubChem CID118646767
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Nameethyl 8-[1-hydroxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazine-6-carboxylate
SMILESCCOC(=O)c1c(C)c(C(C)(O)C2CCN(C(=O)OC(C)(C)C)CC2)c2cnccn12
InChIInChI=1S/C23H33N3O5/c1-7-30-20(27)19-15(2)18(17-14-24-10-13-26(17)19)23(6,29)16-8-11-25(12-9-16)21(28)31-22(3,4)5/h10,13-14,16,29H,7-9,11-12H2,1-6H3
InChIKeyYGWMRSKDRNLIJU-UHFFFAOYSA-N
XLogP3.67
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 8-[1-hydroxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazine-6-carboxylate with MolForge

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Related Compounds

ethyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-5-carboxylate
CID 118378622
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 177168423
ethyl 4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrazole-5-carboxylate
CID 138857558
tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate
CID 86702006
ethyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylate
CID 59406435
tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine
CID 123647865
tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate
CID 23084136
ethyl 5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]triazole-4-carboxylate
CID 171074856
tert-butyl 4-(4-cyano-3-pyridinyl)piperidine-1-carboxylate
CID 175285098
ethyl 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 46739184
tert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 177337295
ethyl 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylate
CID 134340885

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[1-hydroxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazine-6-carboxylate?
The IUPAC name of ethyl 8-[1-hydroxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazine-6-carboxylate (CID 118646767) is ethyl 8-[1-hydroxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazine-6-carboxylate.
What is the SMILES notation for ethyl 8-[1-hydroxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazine-6-carboxylate?
The canonical SMILES for ethyl 8-[1-hydroxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazine-6-carboxylate is CCOC(=O)c1c(C)c(C(C)(O)C2CCN(C(=O)OC(C)(C)C)CC2)c2cnccn12.
What is the InChIKey of ethyl 8-[1-hydroxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazine-6-carboxylate?
The InChIKey is YGWMRSKDRNLIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-7-30-20(27)19-15(2)18(17-14-24-10-13-26(17)19)23(6,29)16-8-11-25(12-9-16)21(28)31-22(3,4)5/h10,13-14,16,29H,7-9,11-12H2,1-6H3.
What are the key properties of ethyl 8-[1-hydroxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazine-6-carboxylate?
ethyl 8-[1-hydroxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazine-6-carboxylate has a molecular weight of 431.53 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[1-hydroxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazine-6-carboxylate is sourced from PubChem (CID 118646767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).