(5-bromothiophen-2-yl)-piperidin-1-ylmethanone

C10H12BrNOS — CID 25236221

IUPAC(5-bromothiophen-2-yl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Br)s1)N1CCCCC1
InChIInChI=1S/C10H12BrNOS/c11-9-5-4-8(14-9)10(13)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2
InChIKeyUZJBVHPWZQBKIY-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.14
Rot. Bonds1

About (5-bromothiophen-2-yl)-piperidin-1-ylmethanone

(5-bromothiophen-2-yl)-piperidin-1-ylmethanone (PubChem CID 25236221) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-piperidin-1-ylmethanone
PubChem CID25236221
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name(5-bromothiophen-2-yl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Br)s1)N1CCCCC1
InChIInChI=1S/C10H12BrNOS/c11-9-5-4-8(14-9)10(13)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2
InChIKeyUZJBVHPWZQBKIY-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-bromothiophen-2-yl)-piperidin-1-ylmethanone (CID 25236221) is (5-bromothiophen-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-bromothiophen-2-yl)-piperidin-1-ylmethanone is O=C(c1ccc(Br)s1)N1CCCCC1.
What is the InChIKey of (5-bromothiophen-2-yl)-piperidin-1-ylmethanone?
The InChIKey is UZJBVHPWZQBKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c11-9-5-4-8(14-9)10(13)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2.
What are the key properties of (5-bromothiophen-2-yl)-piperidin-1-ylmethanone?
(5-bromothiophen-2-yl)-piperidin-1-ylmethanone has a molecular weight of 274.18 g/mol, XLogP of 3.14, 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)-piperidin-1-ylmethanone is sourced from PubChem (CID 25236221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).