(1,5-dimethylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C16H21N3OS — CID 56810379

IUPAC(1,5-dimethylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3cccs3)CC2)n1C
InChIInChI=1S/C16H21N3OS/c1-13-5-6-15(17(13)2)16(20)19-9-7-18(8-10-19)12-14-4-3-11-21-14/h3-6,11H,7-10,12H2,1-2H3
InChIKeyRYUASTMAENDGKD-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.35
Rot. Bonds3

About (1,5-dimethylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

(1,5-dimethylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 56810379) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is (1,5-dimethylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID56810379
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name(1,5-dimethylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3cccs3)CC2)n1C
InChIInChI=1S/C16H21N3OS/c1-13-5-6-15(17(13)2)16(20)19-9-7-18(8-10-19)12-14-4-3-11-21-14/h3-6,11H,7-10,12H2,1-2H3
InChIKeyRYUASTMAENDGKD-UHFFFAOYSA-N
XLogP2.35
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 56810379) is (1,5-dimethylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(Cc3cccs3)CC2)n1C.
What is the InChIKey of (1,5-dimethylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is RYUASTMAENDGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-13-5-6-15(17(13)2)16(20)19-9-7-18(8-10-19)12-14-4-3-11-21-14/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of (1,5-dimethylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
(1,5-dimethylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 303.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56810379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).