ethyl 4-(2,6-dimethylpiperidine-1-carbonyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate

C19H30N2O3 — CID 43954078

IUPACethyl 4-(2,6-dimethylpiperidine-1-carbonyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)N2C(C)CCCC2C)c(C)n1CC
InChIInChI=1S/C19H30N2O3/c1-7-20-15(6)16(14(5)17(20)19(23)24-8-2)18(22)21-12(3)10-9-11-13(21)4/h12-13H,7-11H2,1-6H3
InChIKeyZTJLOPZKVNAIRC-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.70
Rot. Bonds4

About ethyl 4-(2,6-dimethylpiperidine-1-carbonyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate

ethyl 4-(2,6-dimethylpiperidine-1-carbonyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate (PubChem CID 43954078) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is ethyl 4-(2,6-dimethylpiperidine-1-carbonyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,6-dimethylpiperidine-1-carbonyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
PubChem CID43954078
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nameethyl 4-(2,6-dimethylpiperidine-1-carbonyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)N2C(C)CCCC2C)c(C)n1CC
InChIInChI=1S/C19H30N2O3/c1-7-20-15(6)16(14(5)17(20)19(23)24-8-2)18(22)21-12(3)10-9-11-13(21)4/h12-13H,7-11H2,1-6H3
InChIKeyZTJLOPZKVNAIRC-UHFFFAOYSA-N
XLogP3.70
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[cyclohexyl(ethyl)carbamoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 43954061
ethyl 4-(dibutylcarbamoyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 43954055
ethyl 4-[2-[cyclopropyl(3-methylbutanoyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42674897
ethyl 4-[bis(2-methoxyethyl)carbamoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 43954057
ethyl 1-benzyl-3,5-dimethyl-4-(3-methylpiperidine-1-carbonyl)pyrrole-2-carboxylate
CID 43954449
ethyl 1-ethyl-4-[2-[(4-fluorobenzoyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetyl]-3,5-dimethylpyrrole-2-carboxylate
CID 93140374
ethyl 1-ethyl-3,5-dimethyl-4-[2-[methyl(propanoyl)amino]propanoyl]pyrrole-2-carboxylate
CID 42823981
ethyl 1-ethyl-3,5-dimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate
CID 43954094
ethyl 4-[(3,5-dimethylphenyl)carbamoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 20879123
ethyl 1-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3,5-dimethylpyrrole-2-carboxylate
CID 20879074
methyl 4-[2-[cyclobutanecarbonyl(methyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42677899
ethyl 1-ethyl-3,5-dimethyl-4-[2-[propan-2-yl(propan-2-ylcarbamoyl)amino]acetyl]pyrrole-2-carboxylate
CID 42672276

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,6-dimethylpiperidine-1-carbonyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(2,6-dimethylpiperidine-1-carbonyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate (CID 43954078) is ethyl 4-(2,6-dimethylpiperidine-1-carbonyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(2,6-dimethylpiperidine-1-carbonyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(2,6-dimethylpiperidine-1-carbonyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate is CCOC(=O)c1c(C)c(C(=O)N2C(C)CCCC2C)c(C)n1CC.
What is the InChIKey of ethyl 4-(2,6-dimethylpiperidine-1-carbonyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate?
The InChIKey is ZTJLOPZKVNAIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-7-20-15(6)16(14(5)17(20)19(23)24-8-2)18(22)21-12(3)10-9-11-13(21)4/h12-13H,7-11H2,1-6H3.
What are the key properties of ethyl 4-(2,6-dimethylpiperidine-1-carbonyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate?
ethyl 4-(2,6-dimethylpiperidine-1-carbonyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate has a molecular weight of 334.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,6-dimethylpiperidine-1-carbonyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate is sourced from PubChem (CID 43954078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).