(4-bromothiophen-2-yl)-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone

C15H22BrN3OS — CID 126892447

IUPAC(4-bromothiophen-2-yl)-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESCC(C)N1CCN(C2CN(C(=O)c3cc(Br)cs3)C2)CC1
InChIInChI=1S/C15H22BrN3OS/c1-11(2)17-3-5-18(6-4-17)13-8-19(9-13)15(20)14-7-12(16)10-21-14/h7,10-11,13H,3-6,8-9H2,1-2H3
InChIKeyLJJKFDFBCXUQPB-UHFFFAOYSA-N
MW372.33 g/mol
LogP2.36
Rot. Bonds3

About (4-bromothiophen-2-yl)-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone

(4-bromothiophen-2-yl)-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone (PubChem CID 126892447) has the molecular formula C15H22BrN3OS and a molecular weight of 372.33 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
PubChem CID126892447
Molecular FormulaC15H22BrN3OS
Molecular Weight372.33 g/mol
Exact Mass371.07
IUPAC Name(4-bromothiophen-2-yl)-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESCC(C)N1CCN(C2CN(C(=O)c3cc(Br)cs3)C2)CC1
InChIInChI=1S/C15H22BrN3OS/c1-11(2)17-3-5-18(6-4-17)13-8-19(9-13)15(20)14-7-12(16)10-21-14/h7,10-11,13H,3-6,8-9H2,1-2H3
InChIKeyLJJKFDFBCXUQPB-UHFFFAOYSA-N
XLogP2.36
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-bromothiophen-2-yl)-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone with MolForge

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Related Compounds

[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(4-bromothiophen-2-yl)methanone
CID 95589911
(4-bromothiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994398
azepan-1-yl-(4-bromothiophen-2-yl)methanone
CID 2225278
(4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone
CID 83558896
[(3S)-3-aminopyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone;hydrochloride
CID 119934163
1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 56820615
1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126901123
(4-bromothiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538654
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43641790
[1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126892183
1-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 156836562
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone
CID 119631128

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (4-bromothiophen-2-yl)-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone (CID 126892447) is (4-bromothiophen-2-yl)-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (4-bromothiophen-2-yl)-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (4-bromothiophen-2-yl)-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone is CC(C)N1CCN(C2CN(C(=O)c3cc(Br)cs3)C2)CC1.
What is the InChIKey of (4-bromothiophen-2-yl)-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The InChIKey is LJJKFDFBCXUQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3OS/c1-11(2)17-3-5-18(6-4-17)13-8-19(9-13)15(20)14-7-12(16)10-21-14/h7,10-11,13H,3-6,8-9H2,1-2H3.
What are the key properties of (4-bromothiophen-2-yl)-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
(4-bromothiophen-2-yl)-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone has a molecular weight of 372.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 126892447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).