5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide

C20H29N3OS — CID 87054473

IUPAC5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cc2cn(C3CCCC3)cc2s1
InChIInChI=1S/C20H29N3OS/c24-20(21-9-6-12-22-10-4-1-5-11-22)18-13-16-14-23(15-19(16)25-18)17-7-2-3-8-17/h13-15,17H,1-12H2,(H,21,24)
InChIKeyGJNCOLVQQRMBKH-UHFFFAOYSA-N
MW359.54 g/mol
LogP4.42
Rot. Bonds6

About 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide

5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 87054473) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide
PubChem CID87054473
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC Name5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cc2cn(C3CCCC3)cc2s1
InChIInChI=1S/C20H29N3OS/c24-20(21-9-6-12-22-10-4-1-5-11-22)18-13-16-14-23(15-19(16)25-18)17-7-2-3-8-17/h13-15,17H,1-12H2,(H,21,24)
InChIKeyGJNCOLVQQRMBKH-UHFFFAOYSA-N
XLogP4.42
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
CID 53191656
5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
CID 87054452
5-cyclopropyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide
CID 53191518
5-cyclopentyl-N-(3-piperidin-1-ylpropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171311
5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
CID 87054471
N-[3-(4-methylpiperazin-1-yl)propyl]-1-benzothiophene-2-carboxamide
CID 51073450
(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 87054484
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 111434010
5-hydroxy-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 55258279
3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
CID 107980133
5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
CID 60735543
N-[2-(cyclohexylamino)ethyl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 19008852

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide (CID 87054473) is 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide is O=C(NCCCN1CCCCC1)c1cc2cn(C3CCCC3)cc2s1.
What is the InChIKey of 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is GJNCOLVQQRMBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c24-20(21-9-6-12-22-10-4-1-5-11-22)18-13-16-14-23(15-19(16)25-18)17-7-2-3-8-17/h13-15,17H,1-12H2,(H,21,24).
What are the key properties of 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide?
5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 359.54 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 87054473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).