1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine

C23H31N3O3S — CID 1317657

IUPAC1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C23H31N3O3S/c1-29-22-7-9-23(10-8-22)30(27,28)26-13-11-21(12-14-26)25-17-15-24(16-18-25)19-20-5-3-2-4-6-20/h2-10,21H,11-19H2,1H3
InChIKeyZBWUZBMGAZTKSW-UHFFFAOYSA-N
MW429.59 g/mol
LogP2.67
Rot. Bonds6

About 1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine

1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine (PubChem CID 1317657) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
PubChem CID1317657
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C23H31N3O3S/c1-29-22-7-9-23(10-8-22)30(27,28)26-13-11-21(12-14-26)25-17-15-24(16-18-25)19-20-5-3-2-4-6-20/h2-10,21H,11-19H2,1H3
InChIKeyZBWUZBMGAZTKSW-UHFFFAOYSA-N
XLogP2.67
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine
CID 655238
1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine
CID 178026947
1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1334438
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
1-(4-methoxyphenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid
CID 90483664
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308435
1-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine;oxalic acid
CID 17366067
1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 4999960
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
CID 126477231
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide
CID 71903002
1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(4-methylphenyl)methyl]imidazolidin-2-one
CID 53083165

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine?
The IUPAC name of 1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine (CID 1317657) is 1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine.
What is the SMILES notation for 1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine?
The canonical SMILES for 1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine is COc1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine?
The InChIKey is ZBWUZBMGAZTKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-29-22-7-9-23(10-8-22)30(27,28)26-13-11-21(12-14-26)25-17-15-24(16-18-25)19-20-5-3-2-4-6-20/h2-10,21H,11-19H2,1H3.
What are the key properties of 1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine?
1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine has a molecular weight of 429.59 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine is sourced from PubChem (CID 1317657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).