1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxamide

C16H19N3O2S — CID 56817370

IUPAC1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cccn2Cc2cccs2)CC1
InChIInChI=1S/C16H19N3O2S/c17-15(20)12-5-8-18(9-6-12)16(21)14-4-1-7-19(14)11-13-3-2-10-22-13/h1-4,7,10,12H,5-6,8-9,11H2,(H2,17,20)
InChIKeyXTWHBEVANGJJFD-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.94
Rot. Bonds4

About 1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxamide

1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxamide (PubChem CID 56817370) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxamide
PubChem CID56817370
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cccn2Cc2cccs2)CC1
InChIInChI=1S/C16H19N3O2S/c17-15(20)12-5-8-18(9-6-12)16(21)14-4-1-7-19(14)11-13-3-2-10-22-13/h1-4,7,10,12H,5-6,8-9,11H2,(H2,17,20)
InChIKeyXTWHBEVANGJJFD-UHFFFAOYSA-N
XLogP1.94
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxamide (CID 56817370) is 1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cccn2Cc2cccs2)CC1.
What is the InChIKey of 1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is XTWHBEVANGJJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c17-15(20)12-5-8-18(9-6-12)16(21)14-4-1-7-19(14)11-13-3-2-10-22-13/h1-4,7,10,12H,5-6,8-9,11H2,(H2,17,20).
What are the key properties of 1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxamide?
1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 56817370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).