methyl 5-hydroxy-1-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-6-oxopyrimidine-4-carboxylate

C17H25N3O6 — CID 146664893

IUPACmethyl 5-hydroxy-1-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-6-oxopyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2CCCCN2C(=O)OC(C)(C)C)n(C)c(=O)c1O
InChIInChI=1S/C17H25N3O6/c1-17(2,3)26-16(24)20-9-7-6-8-10(20)13-18-11(15(23)25-5)12(21)14(22)19(13)4/h10,21H,6-9H2,1-5H3
InChIKeyGJNVBYUKNNCNDS-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.73
Rot. Bonds2

About methyl 5-hydroxy-1-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-6-oxopyrimidine-4-carboxylate

methyl 5-hydroxy-1-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-6-oxopyrimidine-4-carboxylate (PubChem CID 146664893) has the molecular formula C17H25N3O6 and a molecular weight of 367.40 g/mol. Its IUPAC name is methyl 5-hydroxy-1-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-6-oxopyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-1-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-6-oxopyrimidine-4-carboxylate
PubChem CID146664893
Molecular FormulaC17H25N3O6
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Namemethyl 5-hydroxy-1-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-6-oxopyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2CCCCN2C(=O)OC(C)(C)C)n(C)c(=O)c1O
InChIInChI=1S/C17H25N3O6/c1-17(2,3)26-16(24)20-9-7-6-8-10(20)13-18-11(15(23)25-5)12(21)14(22)19(13)4/h10,21H,6-9H2,1-5H3
InChIKeyGJNVBYUKNNCNDS-UHFFFAOYSA-N
XLogP1.73
TPSA110.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-1-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-6-oxopyrimidine-4-carboxylate?
The IUPAC name of methyl 5-hydroxy-1-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-6-oxopyrimidine-4-carboxylate (CID 146664893) is methyl 5-hydroxy-1-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-6-oxopyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-1-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-6-oxopyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-hydroxy-1-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-6-oxopyrimidine-4-carboxylate is COC(=O)c1nc(C2CCCCN2C(=O)OC(C)(C)C)n(C)c(=O)c1O.
What is the InChIKey of methyl 5-hydroxy-1-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-6-oxopyrimidine-4-carboxylate?
The InChIKey is GJNVBYUKNNCNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6/c1-17(2,3)26-16(24)20-9-7-6-8-10(20)13-18-11(15(23)25-5)12(21)14(22)19(13)4/h10,21H,6-9H2,1-5H3.
What are the key properties of methyl 5-hydroxy-1-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-6-oxopyrimidine-4-carboxylate?
methyl 5-hydroxy-1-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-6-oxopyrimidine-4-carboxylate has a molecular weight of 367.40 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-1-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-6-oxopyrimidine-4-carboxylate is sourced from PubChem (CID 146664893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).