1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

C14H15N3O2S — CID 110801970

IUPAC1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc[nH]1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H15N3O2S/c18-13(11-3-1-5-15-11)16-6-8-17(9-7-16)14(19)12-4-2-10-20-12/h1-5,10,15H,6-9H2
InChIKeyLULKCOPAUMEIBS-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.67
Rot. Bonds2

About 1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 110801970) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
PubChem CID110801970
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc[nH]1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H15N3O2S/c18-13(11-3-1-5-15-11)16-6-8-17(9-7-16)14(19)12-4-2-10-20-12/h1-5,10,15H,6-9H2
InChIKeyLULKCOPAUMEIBS-UHFFFAOYSA-N
XLogP1.67
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-bromo-1H-pyrrole-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 18115147
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113081223
[4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 66203885
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438
[4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2802635
1-benzothiophen-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 70771514
(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 110690985

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (CID 110801970) is 1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc[nH]1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is LULKCOPAUMEIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-13(11-3-1-5-15-11)16-6-8-17(9-7-16)14(19)12-4-2-10-20-12/h1-5,10,15H,6-9H2.
What are the key properties of 1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 289.36 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110801970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).