1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine

C24H32N2O3S — CID 21048741

IUPAC1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(CCCC3(S(=O)(=O)c4ccccc4)CCC3)CC2)c1
InChIInChI=1S/C24H32N2O3S/c1-29-22-9-5-8-21(20-22)26-18-16-25(17-19-26)15-7-14-24(12-6-13-24)30(27,28)23-10-3-2-4-11-23/h2-5,8-11,20H,6-7,12-19H2,1H3
InChIKeySTEYZYRROAWGFE-UHFFFAOYSA-N
MW428.60 g/mol
LogP3.99
Rot. Bonds8

About 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine

1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine (PubChem CID 21048741) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine
PubChem CID21048741
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(CCCC3(S(=O)(=O)c4ccccc4)CCC3)CC2)c1
InChIInChI=1S/C24H32N2O3S/c1-29-22-9-5-8-21(20-22)26-18-16-25(17-19-26)15-7-14-24(12-6-13-24)30(27,28)23-10-3-2-4-11-23/h2-5,8-11,20H,6-7,12-19H2,1H3
InChIKeySTEYZYRROAWGFE-UHFFFAOYSA-N
XLogP3.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine
CID 21048764
1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine
CID 21048744
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
2-(3-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448767
1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol
CID 141019589
2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione
CID 164621183
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
2-[4-[1-(benzenesulfonyl)cyclobutyl]butyl]-3,4-dihydro-1H-isoquinoline
CID 21048858
1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine
CID 91824001
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
CID 79479255
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
CID 60841668

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine (CID 21048741) is 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(CCCC3(S(=O)(=O)c4ccccc4)CCC3)CC2)c1.
What is the InChIKey of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine?
The InChIKey is STEYZYRROAWGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-29-22-9-5-8-21(20-22)26-18-16-25(17-19-26)15-7-14-24(12-6-13-24)30(27,28)23-10-3-2-4-11-23/h2-5,8-11,20H,6-7,12-19H2,1H3.
What are the key properties of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine?
1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine has a molecular weight of 428.60 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 21048741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).