(5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone

C16H16BrNO2S — CID 60954681

IUPAC(5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
SMILESO=C(c1csc(Br)c1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C16H16BrNO2S/c17-15-10-12(11-21-15)16(19)18-8-6-14(7-9-18)20-13-4-2-1-3-5-13/h1-5,10-11,14H,6-9H2
InChIKeyUMLZUCWTKWVNMV-UHFFFAOYSA-N
MW366.28 g/mol
LogP4.19
Rot. Bonds3

About (5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone

(5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone (PubChem CID 60954681) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
PubChem CID60954681
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC Name(5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
SMILESO=C(c1csc(Br)c1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C16H16BrNO2S/c17-15-10-12(11-21-15)16(19)18-8-6-14(7-9-18)20-13-4-2-1-3-5-13/h1-5,10-11,14H,6-9H2
InChIKeyUMLZUCWTKWVNMV-UHFFFAOYSA-N
XLogP4.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 78949980
(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581702
1-(5-bromothiophene-3-carbonyl)piperidine-4-carboxylic acid
CID 43354162
N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide
CID 39698292
2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055245
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
(4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone
CID 86835918
[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119290330
[4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 103805374
3-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62217831
(5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 62204901

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone (CID 60954681) is (5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone is O=C(c1csc(Br)c1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of (5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone?
The InChIKey is UMLZUCWTKWVNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c17-15-10-12(11-21-15)16(19)18-8-6-14(7-9-18)20-13-4-2-1-3-5-13/h1-5,10-11,14H,6-9H2.
What are the key properties of (5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone?
(5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone has a molecular weight of 366.28 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone is sourced from PubChem (CID 60954681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).