(4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone

C10H13BrN2OS — CID 83558896

IUPAC(4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone
SMILESNC1CCN(C(=O)c2cc(Br)cs2)CC1
InChIInChI=1S/C10H13BrN2OS/c11-7-5-9(15-6-7)10(14)13-3-1-8(12)2-4-13/h5-6,8H,1-4,12H2
InChIKeyLXVGXTHJCKUKJJ-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.07
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone

(4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone (PubChem CID 83558896) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone
PubChem CID83558896
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name(4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone
SMILESNC1CCN(C(=O)c2cc(Br)cs2)CC1
InChIInChI=1S/C10H13BrN2OS/c11-7-5-9(15-6-7)10(14)13-3-1-8(12)2-4-13/h5-6,8H,1-4,12H2
InChIKeyLXVGXTHJCKUKJJ-UHFFFAOYSA-N
XLogP2.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone;hydrochloride
CID 119934163
azepan-1-yl-(4-bromothiophen-2-yl)methanone
CID 2225278
1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 56820615
(3-aminopyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107027846
(4-bromothiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538654
(4-bromothiophen-2-yl)-[(7R)-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 99884159
(4-bromothiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994398
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(4-bromothiophen-2-yl)methanone
CID 95589911
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone
CID 119631128
(3-aminocyclobutyl)-(4-bromothiophen-2-yl)methanone
CID 116917728
1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 91819499
(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone (CID 83558896) is (4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone is NC1CCN(C(=O)c2cc(Br)cs2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone?
The InChIKey is LXVGXTHJCKUKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c11-7-5-9(15-6-7)10(14)13-3-1-8(12)2-4-13/h5-6,8H,1-4,12H2.
What are the key properties of (4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone?
(4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone has a molecular weight of 289.20 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone is sourced from PubChem (CID 83558896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).