(4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C14H16BrN3OS — CID 60667451

IUPAC(4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Br)c[nH]1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C14H16BrN3OS/c15-11-8-13(16-9-11)14(19)18-5-3-17(4-6-18)10-12-2-1-7-20-12/h1-2,7-9,16H,3-6,10H2
InChIKeyJKMZPKIYTYNRMD-UHFFFAOYSA-N
MW354.27 g/mol
LogP2.80
Rot. Bonds3

About (4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

(4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 60667451) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is (4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID60667451
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC Name(4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Br)c[nH]1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C14H16BrN3OS/c15-11-8-13(16-9-11)14(19)18-5-3-17(4-6-18)10-12-2-1-7-20-12/h1-2,7-9,16H,3-6,10H2
InChIKeyJKMZPKIYTYNRMD-UHFFFAOYSA-N
XLogP2.80
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(4-bromo-1H-pyrrole-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 18115147
(4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 43410882
(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60655593
(2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 31328462
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585
(5-methylthiophen-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 118142582
[1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 134026118
(5-hydroxy-3-pyridinyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 63859389
(3-amino-1H-1,2,4-triazol-5-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 62794354
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869397
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 60667451) is (4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is O=C(c1cc(Br)c[nH]1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of (4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is JKMZPKIYTYNRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c15-11-8-13(16-9-11)14(19)18-5-3-17(4-6-18)10-12-2-1-7-20-12/h1-2,7-9,16H,3-6,10H2.
What are the key properties of (4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
(4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 354.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60667451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).