[4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone

C23H28BrN3O3S — CID 43926332

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2ccc(Br)cc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H28BrN3O3S/c24-21-10-8-19(9-11-21)17-25-12-4-5-20(18-25)23(28)26-13-15-27(16-14-26)31(29,30)22-6-2-1-3-7-22/h1-3,6-11,20H,4-5,12-18H2
InChIKeyVOCOXDYEMYLLGV-UHFFFAOYSA-N
MW506.47 g/mol
LogP3.19
Rot. Bonds5

About [4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone

[4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone (PubChem CID 43926332) has the molecular formula C23H28BrN3O3S and a molecular weight of 506.47 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone
PubChem CID43926332
Molecular FormulaC23H28BrN3O3S
Molecular Weight506.47 g/mol
Exact Mass505.10
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2ccc(Br)cc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H28BrN3O3S/c24-21-10-8-19(9-11-21)17-25-12-4-5-20(18-25)23(28)26-13-15-27(16-14-26)31(29,30)22-6-2-1-3-7-22/h1-3,6-11,20H,4-5,12-18H2
InChIKeyVOCOXDYEMYLLGV-UHFFFAOYSA-N
XLogP3.19
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

(1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 55986696
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918722
(4-benzylpiperidin-1-yl)-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 126394359
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 27509800
[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 100675172
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
(1-benzylpiperidin-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 46774180
azepan-1-yl-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 41302489
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone (CID 43926332) is [4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone is O=C(C1CCCN(Cc2ccc(Br)cc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is VOCOXDYEMYLLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrN3O3S/c24-21-10-8-19(9-11-21)17-25-12-4-5-20(18-25)23(28)26-13-15-27(16-14-26)31(29,30)22-6-2-1-3-7-22/h1-3,6-11,20H,4-5,12-18H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 506.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 43926332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).