methyl 5-methyl-1-(3-methylphenyl)-2-piperidin-1-ylpyrrole-3-carboxylate

C19H24N2O2 — CID 155681256

IUPACmethyl 5-methyl-1-(3-methylphenyl)-2-piperidin-1-ylpyrrole-3-carboxylate
SMILESCOC(=O)c1cc(C)n(-c2cccc(C)c2)c1N1CCCCC1
InChIInChI=1S/C19H24N2O2/c1-14-8-7-9-16(12-14)21-15(2)13-17(19(22)23-3)18(21)20-10-5-4-6-11-20/h7-9,12-13H,4-6,10-11H2,1-3H3
InChIKeyCLMUVEIFXFCBNH-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.87
Rot. Bonds3

About methyl 5-methyl-1-(3-methylphenyl)-2-piperidin-1-ylpyrrole-3-carboxylate

methyl 5-methyl-1-(3-methylphenyl)-2-piperidin-1-ylpyrrole-3-carboxylate (PubChem CID 155681256) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is methyl 5-methyl-1-(3-methylphenyl)-2-piperidin-1-ylpyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1-(3-methylphenyl)-2-piperidin-1-ylpyrrole-3-carboxylate
PubChem CID155681256
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Namemethyl 5-methyl-1-(3-methylphenyl)-2-piperidin-1-ylpyrrole-3-carboxylate
SMILESCOC(=O)c1cc(C)n(-c2cccc(C)c2)c1N1CCCCC1
InChIInChI=1S/C19H24N2O2/c1-14-8-7-9-16(12-14)21-15(2)13-17(19(22)23-3)18(21)20-10-5-4-6-11-20/h7-9,12-13H,4-6,10-11H2,1-3H3
InChIKeyCLMUVEIFXFCBNH-UHFFFAOYSA-N
XLogP3.87
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylic acid
CID 2339295
methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450
1-(3-methylphenyl)piperidine;propane
CID 143942273
1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355581
methyl 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzoate
CID 51263564
[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26534552
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
methyl 2-(3-methylphenyl)-3-oxo-1H-pyrazole-4-carboxylate
CID 66490214
methyl 2-butoxy-5-piperidin-1-ylbenzoate
CID 70668646
2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 2423054
(2-morpholin-4-yl-2-oxoethyl) 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate
CID 40572132
methyl 2-amino-4-[4-(3-methylphenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 28815570

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1-(3-methylphenyl)-2-piperidin-1-ylpyrrole-3-carboxylate?
The IUPAC name of methyl 5-methyl-1-(3-methylphenyl)-2-piperidin-1-ylpyrrole-3-carboxylate (CID 155681256) is methyl 5-methyl-1-(3-methylphenyl)-2-piperidin-1-ylpyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-1-(3-methylphenyl)-2-piperidin-1-ylpyrrole-3-carboxylate?
The canonical SMILES for methyl 5-methyl-1-(3-methylphenyl)-2-piperidin-1-ylpyrrole-3-carboxylate is COC(=O)c1cc(C)n(-c2cccc(C)c2)c1N1CCCCC1.
What is the InChIKey of methyl 5-methyl-1-(3-methylphenyl)-2-piperidin-1-ylpyrrole-3-carboxylate?
The InChIKey is CLMUVEIFXFCBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-8-7-9-16(12-14)21-15(2)13-17(19(22)23-3)18(21)20-10-5-4-6-11-20/h7-9,12-13H,4-6,10-11H2,1-3H3.
What are the key properties of methyl 5-methyl-1-(3-methylphenyl)-2-piperidin-1-ylpyrrole-3-carboxylate?
methyl 5-methyl-1-(3-methylphenyl)-2-piperidin-1-ylpyrrole-3-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1-(3-methylphenyl)-2-piperidin-1-ylpyrrole-3-carboxylate is sourced from PubChem (CID 155681256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).