[1-(4-bromobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone

C19H17BrClNO2 — CID 58484497

IUPAC[1-(4-bromobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H17BrClNO2/c20-16-5-1-15(2-6-16)19(24)22-11-9-14(10-12-22)18(23)13-3-7-17(21)8-4-13/h1-8,14H,9-12H2
InChIKeyFIYSOPDOHUIPKX-UHFFFAOYSA-N
MW406.71 g/mol
LogP4.84
Rot. Bonds3

About [1-(4-bromobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone

[1-(4-bromobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone (PubChem CID 58484497) has the molecular formula C19H17BrClNO2 and a molecular weight of 406.71 g/mol. Its IUPAC name is [1-(4-bromobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[1-(4-bromobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
PubChem CID58484497
Molecular FormulaC19H17BrClNO2
Molecular Weight406.71 g/mol
Exact Mass405.01
IUPAC Name[1-(4-bromobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H17BrClNO2/c20-16-5-1-15(2-6-16)19(24)22-11-9-14(10-12-22)18(23)13-3-7-17(21)8-4-13/h1-8,14H,9-12H2
InChIKeyFIYSOPDOHUIPKX-UHFFFAOYSA-N
XLogP4.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.71
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [1-(4-bromobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone (CID 58484497) is [1-(4-bromobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [1-(4-bromobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [1-(4-bromobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of [1-(4-bromobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
The InChIKey is FIYSOPDOHUIPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClNO2/c20-16-5-1-15(2-6-16)19(24)22-11-9-14(10-12-22)18(23)13-3-7-17(21)8-4-13/h1-8,14H,9-12H2.
What are the key properties of [1-(4-bromobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
[1-(4-bromobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone has a molecular weight of 406.71 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 58484497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).