methyl 1-[2-(4-acetyl-1H-pyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate

C16H20N2O6 — CID 9385700

IUPACmethyl 1-[2-(4-acetyl-1H-pyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2cc(C(C)=O)c[nH]2)CC1
InChIInChI=1S/C16H20N2O6/c1-10(19)12-7-13(17-8-12)16(22)24-9-14(20)18-5-3-11(4-6-18)15(21)23-2/h7-8,11,17H,3-6,9H2,1-2H3
InChIKeyWVTGYKVBWALEQK-UHFFFAOYSA-N
MW336.34 g/mol
LogP0.79
Rot. Bonds5

About methyl 1-[2-(4-acetyl-1H-pyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate

methyl 1-[2-(4-acetyl-1H-pyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate (PubChem CID 9385700) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is methyl 1-[2-(4-acetyl-1H-pyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-acetyl-1H-pyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
PubChem CID9385700
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Namemethyl 1-[2-(4-acetyl-1H-pyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2cc(C(C)=O)c[nH]2)CC1
InChIInChI=1S/C16H20N2O6/c1-10(19)12-7-13(17-8-12)16(22)24-9-14(20)18-5-3-11(4-6-18)15(21)23-2/h7-8,11,17H,3-6,9H2,1-2H3
InChIKeyWVTGYKVBWALEQK-UHFFFAOYSA-N
XLogP0.79
TPSA105.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9386251
methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 17435665
methyl 1-[2-(4-cyanobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 7716952
methyl 1-[2-(1,3-benzodioxole-5-carbonyloxy)acetyl]piperidine-4-carboxylate
CID 8012185
[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 18225321
methyl 1-[2-(1-benzothiophene-2-carbonyloxy)acetyl]piperidine-4-carboxylate
CID 7887288
methyl 1-[2-(1,4-dihydroxynaphthalene-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 7228482
methyl 1-[2-(2-bromo-5-sulfamoylbenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 42985830
methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate
CID 7193669
methyl 1-[2-[4-(cyclopropylamino)-3-nitrobenzoyl]oxyacetyl]piperidine-4-carboxylate
CID 7649852
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385721
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 7276401

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-acetyl-1H-pyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(4-acetyl-1H-pyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate (CID 9385700) is methyl 1-[2-(4-acetyl-1H-pyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-acetyl-1H-pyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(4-acetyl-1H-pyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)COC(=O)c2cc(C(C)=O)c[nH]2)CC1.
What is the InChIKey of methyl 1-[2-(4-acetyl-1H-pyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The InChIKey is WVTGYKVBWALEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6/c1-10(19)12-7-13(17-8-12)16(22)24-9-14(20)18-5-3-11(4-6-18)15(21)23-2/h7-8,11,17H,3-6,9H2,1-2H3.
What are the key properties of methyl 1-[2-(4-acetyl-1H-pyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
methyl 1-[2-(4-acetyl-1H-pyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate has a molecular weight of 336.34 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-acetyl-1H-pyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 9385700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).