[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C18H25BrN2O3S — CID 1325730

IUPAC[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C18H25BrN2O3S/c1-14-6-10-20(11-7-14)18(22)15-8-12-21(13-9-15)25(23,24)17-4-2-16(19)3-5-17/h2-5,14-15H,6-13H2,1H3
InChIKeySCQBBCMUYPCCCW-UHFFFAOYSA-N
MW429.38 g/mol
LogP3.11
Rot. Bonds3

About [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 1325730) has the molecular formula C18H25BrN2O3S and a molecular weight of 429.38 g/mol. Its IUPAC name is [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID1325730
Molecular FormulaC18H25BrN2O3S
Molecular Weight429.38 g/mol
Exact Mass428.08
IUPAC Name[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C18H25BrN2O3S/c1-14-6-10-20(11-7-14)18(22)15-8-12-21(13-9-15)25(23,24)17-4-2-16(19)3-5-17/h2-5,14-15H,6-13H2,1H3
InChIKeySCQBBCMUYPCCCW-UHFFFAOYSA-N
XLogP3.11
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 1325730) is [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1.
What is the InChIKey of [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is SCQBBCMUYPCCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O3S/c1-14-6-10-20(11-7-14)18(22)15-8-12-21(13-9-15)25(23,24)17-4-2-16(19)3-5-17/h2-5,14-15H,6-13H2,1H3.
What are the key properties of [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 429.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 1325730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).