(5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

C14H19BrN2OS — CID 103832103

IUPAC(5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1csc(Br)c1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H19BrN2OS/c15-13-7-11(9-19-13)14(18)17-6-2-3-10(8-17)12-4-1-5-16-12/h7,9-10,12,16H,1-6,8H2
InChIKeyORJYUYLUOGNVCP-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.11
Rot. Bonds2

About (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

(5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 103832103) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID103832103
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC Name(5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1csc(Br)c1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H19BrN2OS/c15-13-7-11(9-19-13)14(18)17-6-2-3-10(8-17)12-4-1-5-16-12/h7,9-10,12,16H,1-6,8H2
InChIKeyORJYUYLUOGNVCP-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 103832103) is (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1csc(Br)c1)N1CCCC(C2CCCN2)C1.
What is the InChIKey of (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is ORJYUYLUOGNVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c15-13-7-11(9-19-13)14(18)17-6-2-3-10(8-17)12-4-1-5-16-12/h7,9-10,12,16H,1-6,8H2.
What are the key properties of (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 343.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103832103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).