(5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone

C16H15BrClNOS — CID 90522164

IUPAC(5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCC(c2cccs2)CC1
InChIInChI=1S/C16H15BrClNOS/c17-12-3-4-14(18)13(10-12)16(20)19-7-5-11(6-8-19)15-2-1-9-21-15/h1-4,9-11H,5-8H2
InChIKeyDHKYDGZYDPLXDZ-UHFFFAOYSA-N
MW384.73 g/mol
LogP5.18
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone

(5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone (PubChem CID 90522164) has the molecular formula C16H15BrClNOS and a molecular weight of 384.73 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
PubChem CID90522164
Molecular FormulaC16H15BrClNOS
Molecular Weight384.73 g/mol
Exact Mass382.97
IUPAC Name(5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCC(c2cccs2)CC1
InChIInChI=1S/C16H15BrClNOS/c17-12-3-4-14(18)13(10-12)16(20)19-7-5-11(6-8-19)15-2-1-9-21-15/h1-4,9-11H,5-8H2
InChIKeyDHKYDGZYDPLXDZ-UHFFFAOYSA-N
XLogP5.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.73
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-chlorophenyl)-[(7R)-1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl]methanone
CID 129357064
(5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43004671
(5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone
CID 80662663
(5-bromo-2-chlorophenyl)-(7-phenyl-1,4-thiazepan-4-yl)methanone
CID 121163479
(2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786844
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
(5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54912287
(5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone
CID 80677503
(5-bromo-2-chlorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65282955
(5-bromo-2-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113268886
(5-bromo-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370584
2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
CID 82130314

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone (CID 90522164) is (5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone is O=C(c1cc(Br)ccc1Cl)N1CCC(c2cccs2)CC1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The InChIKey is DHKYDGZYDPLXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNOS/c17-12-3-4-14(18)13(10-12)16(20)19-7-5-11(6-8-19)15-2-1-9-21-15/h1-4,9-11H,5-8H2.
What are the key properties of (5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone?
(5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone has a molecular weight of 384.73 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 90522164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).