4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide

C17H25N3OS — CID 654794

IUPAC4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cc3sccc3n2C)CC1
InChIInChI=1S/C17H25N3OS/c1-13-4-9-20(10-5-13)8-3-7-18-17(21)15-12-16-14(19(15)2)6-11-22-16/h6,11-13H,3-5,7-10H2,1-2H3,(H,18,21)
InChIKeyGGXZZUDHNKZPOV-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.09
Rot. Bonds5

About 4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide

4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 654794) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID654794
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cc3sccc3n2C)CC1
InChIInChI=1S/C17H25N3OS/c1-13-4-9-20(10-5-13)8-3-7-18-17(21)15-12-16-14(19(15)2)6-11-22-16/h6,11-13H,3-5,7-10H2,1-2H3,(H,18,21)
InChIKeyGGXZZUDHNKZPOV-UHFFFAOYSA-N
XLogP3.09
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.09
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 654794) is 4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide is CC1CCN(CCCNC(=O)c2cc3sccc3n2C)CC1.
What is the InChIKey of 4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is GGXZZUDHNKZPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-13-4-9-20(10-5-13)8-3-7-18-17(21)15-12-16-14(19(15)2)6-11-22-16/h6,11-13H,3-5,7-10H2,1-2H3,(H,18,21).
What are the key properties of 4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide?
4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 319.47 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 654794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).