(4-bromophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone

C16H16BrNOS — CID 90522383

IUPAC(4-bromophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C16H16BrNOS/c17-15-3-1-13(2-4-15)16(19)18-8-5-12(6-9-18)14-7-10-20-11-14/h1-4,7,10-12H,5-6,8-9H2
InChIKeyUAAWXXAMAZCICP-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.53
Rot. Bonds2

About (4-bromophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone

(4-bromophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone (PubChem CID 90522383) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is (4-bromophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
PubChem CID90522383
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC Name(4-bromophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C16H16BrNOS/c17-15-3-1-13(2-4-15)16(19)18-8-5-12(6-9-18)14-7-10-20-11-14/h1-4,7,10-12H,5-6,8-9H2
InChIKeyUAAWXXAMAZCICP-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

(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
4-(3-thiophen-3-ylpyrrolidine-1-carbonyl)benzonitrile
CID 131703865
(2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 90522375
(2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 71786960
[4-(bromomethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80678679
tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate
CID 53426264
1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 71786966
N-cycloheptyl-4-thiophen-3-ylpiperidine-1-carboxamide
CID 90522920
(2-ethylsulfanylphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 71786986
thiophen-3-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786843
(2-chloro-5-nitrophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 90522385
1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
CID 23145474

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-bromophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone (CID 90522383) is (4-bromophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone is O=C(c1ccc(Br)cc1)N1CCC(c2ccsc2)CC1.
What is the InChIKey of (4-bromophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The InChIKey is UAAWXXAMAZCICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c17-15-3-1-13(2-4-15)16(19)18-8-5-12(6-9-18)14-7-10-20-11-14/h1-4,7,10-12H,5-6,8-9H2.
What are the key properties of (4-bromophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
(4-bromophenyl)-(4-thiophen-3-ylpiperidin-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 (4-bromophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 90522383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).