methyl 5-acetyl-4-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxylate

C17H24N2O4 — CID 9450105

IUPACmethyl 5-acetyl-4-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(CC(=O)N2CCCC[C@@H]2C)[nH]c(C(C)=O)c1C
InChIInChI=1S/C17H24N2O4/c1-10-7-5-6-8-19(10)14(21)9-13-15(17(22)23-4)11(2)16(18-13)12(3)20/h10,18H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyRYFJANYXYFDAHN-JTQLQIEISA-N
MW320.39 g/mol
LogP2.26
Rot. Bonds4

About methyl 5-acetyl-4-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxylate

methyl 5-acetyl-4-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxylate (PubChem CID 9450105) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 5-acetyl-4-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-4-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxylate
PubChem CID9450105
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl 5-acetyl-4-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(CC(=O)N2CCCC[C@@H]2C)[nH]c(C(C)=O)c1C
InChIInChI=1S/C17H24N2O4/c1-10-7-5-6-8-19(10)14(21)9-13-15(17(22)23-4)11(2)16(18-13)12(3)20/h10,18H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyRYFJANYXYFDAHN-JTQLQIEISA-N
XLogP2.26
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-acetyl-4-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

methyl 5-acetyl-2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 9451396
methyl 2,4-dimethyl-5-(2-methylpiperidine-1-carbonyl)-1H-pyrrole-3-carboxylate
CID 18106364
methyl 5-acetyl-2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 134060939
methyl 5-acetyl-4-methyl-2-[2-oxo-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]ethyl]-1H-pyrrole-3-carboxylate
CID 55706209
methyl 5-acetyl-4-methyl-2-[2-oxo-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]ethyl]-1H-pyrrole-3-carboxylate
CID 55406972
methyl 5-acetyl-4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1H-pyrrole-3-carboxylate
CID 94819837
methyl 2,4-dimethyl-5-[2-(2-methylpiperidin-1-yl)acetyl]-1H-pyrrole-3-carboxylate
CID 46800966
methyl 5-acetyl-4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrrole-3-carboxylate
CID 51265343
methyl 5-acetyl-2-[2-[(4S)-4-[(4-cyanophenyl)carbamoyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 95302124
3-methyl-5-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1H-pyrrole-2,4-dicarboxylic acid
CID 141140715
methyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 55674800
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-4-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-acetyl-4-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxylate (CID 9450105) is methyl 5-acetyl-4-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-acetyl-4-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-acetyl-4-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxylate is COC(=O)c1c(CC(=O)N2CCCC[C@@H]2C)[nH]c(C(C)=O)c1C.
What is the InChIKey of methyl 5-acetyl-4-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxylate?
The InChIKey is RYFJANYXYFDAHN-JTQLQIEISA-N. The full InChI is InChI=1S/C17H24N2O4/c1-10-7-5-6-8-19(10)14(21)9-13-15(17(22)23-4)11(2)16(18-13)12(3)20/h10,18H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of methyl 5-acetyl-4-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxylate?
methyl 5-acetyl-4-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-4-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 9450105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).