5-cyclopentyl-N-(3-piperidin-1-ylpropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C20H31N3OS — CID 53171311

IUPAC5-cyclopentyl-N-(3-piperidin-1-ylpropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cc2c(s1)CN(C1CCCC1)C2
InChIInChI=1S/C20H31N3OS/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/h13,17H,1-12,14-15H2,(H,21,24)
InChIKeyOXHLXPNOSVVRDF-UHFFFAOYSA-N
MW361.56 g/mol
LogP3.61
Rot. Bonds6

About 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

5-cyclopentyl-N-(3-piperidin-1-ylpropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53171311) has the molecular formula C20H31N3OS and a molecular weight of 361.56 g/mol. Its IUPAC name is 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopentyl-N-(3-piperidin-1-ylpropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53171311
Molecular FormulaC20H31N3OS
Molecular Weight361.56 g/mol
Exact Mass361.22
IUPAC Name5-cyclopentyl-N-(3-piperidin-1-ylpropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cc2c(s1)CN(C1CCCC1)C2
InChIInChI=1S/C20H31N3OS/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/h13,17H,1-12,14-15H2,(H,21,24)
InChIKeyOXHLXPNOSVVRDF-UHFFFAOYSA-N
XLogP3.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 53.61
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-(3-methoxypropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171183
5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide
CID 87054473
N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171259
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 111434010
N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 43443281
N-(3-piperazin-1-ylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119393555
5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171113
3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
CID 107980133
5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
CID 87054452
5-hydroxy-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 55258279
N-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide
CID 20963426
5-acetyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158788

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 53171311) is 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is O=C(NCCCN1CCCCC1)c1cc2c(s1)CN(C1CCCC1)C2.
What is the InChIKey of 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is OXHLXPNOSVVRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3OS/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/h13,17H,1-12,14-15H2,(H,21,24).
What are the key properties of 5-cyclopentyl-N-(3-piperidin-1-ylpropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
5-cyclopentyl-N-(3-piperidin-1-ylpropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 361.56 g/mol, XLogP of 3.61, 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)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53171311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).