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

C16H16BrNOS — CID 39581702

IUPAC(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1csc(Br)c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H16BrNOS/c17-15-10-14(11-20-15)16(19)18-8-6-13(7-9-18)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2
InChIKeyWXFNZLLCLDPBGZ-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.53
Rot. Bonds2

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

(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone (PubChem CID 39581702) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
PubChem CID39581702
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC Name(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1csc(Br)c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H16BrNOS/c17-15-10-14(11-20-15)16(19)18-8-6-13(7-9-18)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2
InChIKeyWXFNZLLCLDPBGZ-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 60954681
1-(5-bromothiophene-3-carbonyl)piperidine-4-carboxylic acid
CID 43354162
N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide
CID 39698292
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 37437294
3-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62217831
[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 44765726
(3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride
CID 119483030
[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 38004798
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(5-hydroxy-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 63859040
[4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949659
2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione
CID 633858

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone (CID 39581702) is (5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone is O=C(c1csc(Br)c1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is WXFNZLLCLDPBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c17-15-10-14(11-20-15)16(19)18-8-6-13(7-9-18)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2.
What are the key properties of (5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone?
(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 350.28 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 39581702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).