methyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate

C19H24N2O6 — CID 170511220

IUPACmethyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)c2c(C)cc(C3CCC3)oc2=O)C(C)C1=O
InChIInChI=1S/C19H24N2O6/c1-11-9-14(13-5-4-6-13)27-19(25)16(11)18(24)21-8-7-20(10-15(22)26-3)17(23)12(21)2/h9,12-13H,4-8,10H2,1-3H3
InChIKeyGXZFGCIUQMTZOD-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.06
Rot. Bonds4

About methyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate

methyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate (PubChem CID 170511220) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate
PubChem CID170511220
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Namemethyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)c2c(C)cc(C3CCC3)oc2=O)C(C)C1=O
InChIInChI=1S/C19H24N2O6/c1-11-9-14(13-5-4-6-13)27-19(25)16(11)18(24)21-8-7-20(10-15(22)26-3)17(23)12(21)2/h9,12-13H,4-8,10H2,1-3H3
InChIKeyGXZFGCIUQMTZOD-UHFFFAOYSA-N
XLogP1.06
TPSA97.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate with MolForge

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Related Compounds

methyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride
CID 171707509
methyl 2-[3-methyl-4-[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]-2-oxopiperazin-1-yl]acetate
CID 172658094
6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one
CID 170507219
3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride
CID 171710974
6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide
CID 170502685
6-cyclobutyl-4-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyran-3-carboxamide
CID 170510918
6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one
CID 170509556
methyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate
CID 50948903
3-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-cyclobutyl-4-methylpyran-2-one
CID 170505702
6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one
CID 170511586
methyl 2-[(3S)-4-(8-fluoroquinoline-2-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate
CID 95127053
6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one
CID 170506178

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate (CID 170511220) is methyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate is COC(=O)CN1CCN(C(=O)c2c(C)cc(C3CCC3)oc2=O)C(C)C1=O.
What is the InChIKey of methyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate?
The InChIKey is GXZFGCIUQMTZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-11-9-14(13-5-4-6-13)27-19(25)16(11)18(24)21-8-7-20(10-15(22)26-3)17(23)12(21)2/h9,12-13H,4-8,10H2,1-3H3.
What are the key properties of methyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate?
methyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate has a molecular weight of 376.41 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate is sourced from PubChem (CID 170511220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).