1-[1-(benzenesulfonyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine

C22H29N3O3S — CID 24819326

IUPAC1-[1-(benzenesulfonyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(C3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-28-21-11-9-19(10-12-21)23-14-16-24(17-15-23)20-6-5-13-25(18-20)29(26,27)22-7-3-2-4-8-22/h2-4,7-12,20H,5-6,13-18H2,1H3
InChIKeyLGQJVOBUIAYCBW-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.67
Rot. Bonds5

About 1-[1-(benzenesulfonyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine

1-[1-(benzenesulfonyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine (PubChem CID 24819326) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
PubChem CID24819326
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name1-[1-(benzenesulfonyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(C3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-28-21-11-9-19(10-12-21)23-14-16-24(17-15-23)20-6-5-13-25(18-20)29(26,27)22-7-3-2-4-8-22/h2-4,7-12,20H,5-6,13-18H2,1H3
InChIKeyLGQJVOBUIAYCBW-UHFFFAOYSA-N
XLogP2.67
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-Amino-N-(4-methoxy-phenyl)-2-morpholin-4-yl-benzenesulfonamide
CID 2963517
SB 258585
CID 3248571
3-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 10648664
3-iodo-N-(4-methoxy-3-piperazin-1-ylphenyl)benzenesulfonamide
CID 18180191
Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
N-[4-(diethylamino)phenyl]-4-methoxybenzenesulfonamide
CID 841703
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperazine
CID 1148713
rac-N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784696
3-Amino-N-(4-methoxyphenyl)-4-morpholinobenzenesulfonamide
CID 3292313
3-amino-N-(4-methoxyphenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 3674642
3-amino-N-(4-methoxyphenyl)-4-(piperidin-1-yl)benzene-1-sulfonamide
CID 3746718
5-amino-N-(4-methoxyphenyl)-2-(piperidin-1-yl)benzene-1-sulfonamide
CID 3792687

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-[1-(benzenesulfonyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine (CID 24819326) is 1-[1-(benzenesulfonyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[1-(benzenesulfonyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-[1-(benzenesulfonyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(C3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)cc1.
What is the InChIKey of 1-[1-(benzenesulfonyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine?
The InChIKey is LGQJVOBUIAYCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-28-21-11-9-19(10-12-21)23-14-16-24(17-15-23)20-6-5-13-25(18-20)29(26,27)22-7-3-2-4-8-22/h2-4,7-12,20H,5-6,13-18H2,1H3.
What are the key properties of 1-[1-(benzenesulfonyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine?
1-[1-(benzenesulfonyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine has a molecular weight of 415.56 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 24819326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).