ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate

C19H22N2O3 — CID 35512692

IUPACethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1
InChIInChI=1S/C19H22N2O3/c1-2-24-19(23)15-8-12-21(13-9-15)18(22)16-6-5-7-17(14-16)20-10-3-4-11-20/h3-7,10-11,14-15H,2,8-9,12-13H2,1H3
InChIKeyDAAIGIOXORDESP-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.89
Rot. Bonds4

About ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate

ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate (PubChem CID 35512692) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate
PubChem CID35512692
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nameethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1
InChIInChI=1S/C19H22N2O3/c1-2-24-19(23)15-8-12-21(13-9-15)18(22)16-6-5-7-17(14-16)20-10-3-4-11-20/h3-7,10-11,14-15H,2,8-9,12-13H2,1H3
InChIKeyDAAIGIOXORDESP-UHFFFAOYSA-N
XLogP2.89
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 39314575
ethyl 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43156402
ethyl 1-(3-acetyloxybenzoyl)piperidine-4-carboxylate
CID 6457246
ethyl 1-[3-[(3-hydroxyphenyl)methyl]benzoyl]piperidine-4-carboxylate
CID 143311863
ethyl 1-[3-(difluoromethoxy)benzoyl]piperidine-4-carboxylate
CID 51072598
1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63031103
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
CID 134222495
ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate
CID 39715931
ethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108886635
(4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 55460591
ethyl (3S)-1-(4-pyrrol-1-ylbenzoyl)piperidine-3-carboxylate
CID 51925940

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate (CID 35512692) is ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1.
What is the InChIKey of ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate?
The InChIKey is DAAIGIOXORDESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-24-19(23)15-8-12-21(13-9-15)18(22)16-6-5-7-17(14-16)20-10-3-4-11-20/h3-7,10-11,14-15H,2,8-9,12-13H2,1H3.
What are the key properties of ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate?
ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 35512692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).