ethyl 4-[(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)amino]piperidine-1-carboxylate

C17H23N3O3S — CID 3241012

IUPACethyl 4-[(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc3sccc3n2CC)CC1
InChIInChI=1S/C17H23N3O3S/c1-3-20-13-7-10-24-15(13)11-14(20)16(21)18-12-5-8-19(9-6-12)17(22)23-4-2/h7,10-12H,3-6,8-9H2,1-2H3,(H,18,21)
InChIKeyKUEDVDNVTOLRDJ-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.07
Rot. Bonds4

About ethyl 4-[(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 3241012) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is ethyl 4-[(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)amino]piperidine-1-carboxylate
PubChem CID3241012
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Nameethyl 4-[(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc3sccc3n2CC)CC1
InChIInChI=1S/C17H23N3O3S/c1-3-20-13-7-10-24-15(13)11-14(20)16(21)18-12-5-8-19(9-6-12)17(22)23-4-2/h7,10-12H,3-6,8-9H2,1-2H3,(H,18,21)
InChIKeyKUEDVDNVTOLRDJ-UHFFFAOYSA-N
XLogP3.07
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)amino]piperidine-1-carboxylate (CID 3241012) is ethyl 4-[(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc3sccc3n2CC)CC1.
What is the InChIKey of ethyl 4-[(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is KUEDVDNVTOLRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-20-13-7-10-24-15(13)11-14(20)16(21)18-12-5-8-19(9-6-12)17(22)23-4-2/h7,10-12H,3-6,8-9H2,1-2H3,(H,18,21).
What are the key properties of ethyl 4-[(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 349.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 3241012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).