ethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate

C19H23N3O3 — CID 108886635

IUPACethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C19H23N3O3/c1-2-25-18(23)15-9-13-22(14-10-15)19(24)20-16-5-7-17(8-6-16)21-11-3-4-12-21/h3-8,11-12,15H,2,9-10,13-14H2,1H3,(H,20,24)
InChIKeyMYENOHOZXQVGNL-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.28
Rot. Bonds4

About ethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate

ethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate (PubChem CID 108886635) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate
PubChem CID108886635
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C19H23N3O3/c1-2-25-18(23)15-9-13-22(14-10-15)19(24)20-16-5-7-17(8-6-16)21-11-3-4-12-21/h3-8,11-12,15H,2,9-10,13-14H2,1H3,(H,20,24)
InChIKeyMYENOHOZXQVGNL-UHFFFAOYSA-N
XLogP3.28
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
ethyl 1-[[4-[(1-ethoxycarbonylpiperidine-4-carbonyl)amino]phenyl]carbamoyl]piperidine-4-carboxylate
CID 3240420
ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate
CID 2943790
ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate
CID 108884066
ethyl 1-[(3-hydroxyphenyl)carbamoyl]piperidine-4-carboxylate
CID 108895693
ethyl 1-[(2-hydroxyphenyl)carbamoyl]piperidine-4-carboxylate
CID 108871379
ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate
CID 35512692
[2-(diethylamino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836533
ethyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)acetyl]piperidine-4-carboxylate
CID 108504241
ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate
CID 44999677
[2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836753
ethyl (3S)-1-(4-pyrrol-1-ylbenzoyl)piperidine-3-carboxylate
CID 51925940

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate (CID 108886635) is ethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Nc2ccc(-n3cccc3)cc2)CC1.
What is the InChIKey of ethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate?
The InChIKey is MYENOHOZXQVGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-25-18(23)15-9-13-22(14-10-15)19(24)20-16-5-7-17(8-6-16)21-11-3-4-12-21/h3-8,11-12,15H,2,9-10,13-14H2,1H3,(H,20,24).
What are the key properties of ethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate?
ethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 108886635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).