(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone

C13H18BrNO2S — CID 61171322

IUPAC(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2csc(Br)c2)C1
InChIInChI=1S/C13H18BrNO2S/c1-2-6-17-11-4-3-5-15(8-11)13(16)10-7-12(14)18-9-10/h7,9,11H,2-6,8H2,1H3
InChIKeySCJAXKFGQFAMEY-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.54
Rot. Bonds4

About (5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone

(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 61171322) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID61171322
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2csc(Br)c2)C1
InChIInChI=1S/C13H18BrNO2S/c1-2-6-17-11-4-3-5-15(8-11)13(16)10-7-12(14)18-9-10/h7,9,11H,2-6,8H2,1H3
InChIKeySCJAXKFGQFAMEY-UHFFFAOYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
(3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103826766
(4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103872801
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
methyl 1-(5-bromothiophene-3-carbonyl)piperidine-3-carboxylate
CID 78919235
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 52537995
4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 122571890
(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107074802

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone (CID 61171322) is (5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2csc(Br)c2)C1.
What is the InChIKey of (5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is SCJAXKFGQFAMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-2-6-17-11-4-3-5-15(8-11)13(16)10-7-12(14)18-9-10/h7,9,11H,2-6,8H2,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone?
(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 332.26 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 61171322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).