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

C15H23N3O3 — CID 45106964

IUPACethyl 4-(3-pyrrol-1-ylpropanoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCn2cccc2)CC1
InChIInChI=1S/C15H23N3O3/c1-2-21-15(20)18-11-5-13(6-12-18)16-14(19)7-10-17-8-3-4-9-17/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,16,19)
InChIKeyMZTZJYXXUJLVAL-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.62
Rot. Bonds5

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

ethyl 4-(3-pyrrol-1-ylpropanoylamino)piperidine-1-carboxylate (PubChem CID 45106964) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 4-(3-pyrrol-1-ylpropanoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-pyrrol-1-ylpropanoylamino)piperidine-1-carboxylate
PubChem CID45106964
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 4-(3-pyrrol-1-ylpropanoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCn2cccc2)CC1
InChIInChI=1S/C15H23N3O3/c1-2-21-15(20)18-11-5-13(6-12-18)16-14(19)7-10-17-8-3-4-9-17/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,16,19)
InChIKeyMZTZJYXXUJLVAL-UHFFFAOYSA-N
XLogP1.62
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-pyrrol-1-ylpropanoylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(3-pyrrol-1-ylpropanoylamino)piperidine-1-carboxylate (CID 45106964) is ethyl 4-(3-pyrrol-1-ylpropanoylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-pyrrol-1-ylpropanoylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-pyrrol-1-ylpropanoylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCn2cccc2)CC1.
What is the InChIKey of ethyl 4-(3-pyrrol-1-ylpropanoylamino)piperidine-1-carboxylate?
The InChIKey is MZTZJYXXUJLVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-21-15(20)18-11-5-13(6-12-18)16-14(19)7-10-17-8-3-4-9-17/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,16,19).
What are the key properties of ethyl 4-(3-pyrrol-1-ylpropanoylamino)piperidine-1-carboxylate?
ethyl 4-(3-pyrrol-1-ylpropanoylamino)piperidine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-pyrrol-1-ylpropanoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 45106964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).