(5-bromothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone

C11H14BrNOS — CID 42905215

IUPAC(5-bromothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(Br)s1
InChIInChI=1S/C11H14BrNOS/c1-8-4-2-3-7-13(8)11(14)9-5-6-10(12)15-9/h5-6,8H,2-4,7H2,1H3
InChIKeyYJYSDSMLQFPZFS-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.53
Rot. Bonds1

About (5-bromothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone

(5-bromothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 42905215) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID42905215
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name(5-bromothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(Br)s1
InChIInChI=1S/C11H14BrNOS/c1-8-4-2-3-7-13(8)11(14)9-5-6-10(12)15-9/h5-6,8H,2-4,7H2,1H3
InChIKeyYJYSDSMLQFPZFS-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Acetyl-4-[(5-bromo-2-thienyl)methyl]piperazine
CID 743462
4-bromo-5-ethyl-N-(1-methyl-4-piperidinyl)-2-thiophenecarboxamide
CID 1247737
(4,5-Dibromothiophen-2-yl)-morpholin-4-ylmethanone
CID 24979897
5-bromo-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]thiophene-2-carboxamide
CID 90644696
(5-Bromothiophen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6465696
5-bromo-N-cyclopentylthiophene-2-carboxamide
CID 1245660
1-[(5-Bromo-2-thienyl)carbonyl]pyrrolidine
CID 1246561
[4-(Propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
CID 764856
(4,5-Dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 25161803
1-Cyclohexyl-4-[(5-methyl-2-thienyl)carbonyl]piperazine
CID 1245630
(5-Bromothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 1245667
5-bromo-N-ethylthiophene-2-carboxamide
CID 17148841

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone (CID 42905215) is (5-bromothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is YJYSDSMLQFPZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-8-4-2-3-7-13(8)11(14)9-5-6-10(12)15-9/h5-6,8H,2-4,7H2,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone?
(5-bromothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 288.21 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 42905215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).