1-(benzenesulfonyl)-4-[(1S)-1-phenyl-3-piperidin-1-ylpropyl]piperazine

C24H33N3O2S — CID 141129080

IUPAC1-(benzenesulfonyl)-4-[(1S)-1-phenyl-3-piperidin-1-ylpropyl]piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN([C@@H](CCN2CCCCC2)c2ccccc2)CC1
InChIInChI=1S/C24H33N3O2S/c28-30(29,23-12-6-2-7-13-23)27-20-18-26(19-21-27)24(22-10-4-1-5-11-22)14-17-25-15-8-3-9-16-25/h1-2,4-7,10-13,24H,3,8-9,14-21H2/t24-/m0/s1
InChIKeyFWYWFBVYGASSKJ-DEOSSOPVSA-N
MW427.61 g/mol
LogP3.61
Rot. Bonds7

About 1-(benzenesulfonyl)-4-[(1S)-1-phenyl-3-piperidin-1-ylpropyl]piperazine

1-(benzenesulfonyl)-4-[(1S)-1-phenyl-3-piperidin-1-ylpropyl]piperazine (PubChem CID 141129080) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[(1S)-1-phenyl-3-piperidin-1-ylpropyl]piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[(1S)-1-phenyl-3-piperidin-1-ylpropyl]piperazine
PubChem CID141129080
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC Name1-(benzenesulfonyl)-4-[(1S)-1-phenyl-3-piperidin-1-ylpropyl]piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN([C@@H](CCN2CCCCC2)c2ccccc2)CC1
InChIInChI=1S/C24H33N3O2S/c28-30(29,23-12-6-2-7-13-23)27-20-18-26(19-21-27)24(22-10-4-1-5-11-22)14-17-25-15-8-3-9-16-25/h1-2,4-7,10-13,24H,3,8-9,14-21H2/t24-/m0/s1
InChIKeyFWYWFBVYGASSKJ-DEOSSOPVSA-N
XLogP3.61
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559247
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 4842592
1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine
CID 10345208
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
lithium 1-(1-phenylbutyl)piperidine
CID 87565541
N-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide
CID 23285239
1,3-bis(benzenesulfonyl)-1,3-diazocane
CID 13382390
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine;oxalic acid
CID 71411854
1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 55723344
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 47068814

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[(1S)-1-phenyl-3-piperidin-1-ylpropyl]piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-[(1S)-1-phenyl-3-piperidin-1-ylpropyl]piperazine (CID 141129080) is 1-(benzenesulfonyl)-4-[(1S)-1-phenyl-3-piperidin-1-ylpropyl]piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[(1S)-1-phenyl-3-piperidin-1-ylpropyl]piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[(1S)-1-phenyl-3-piperidin-1-ylpropyl]piperazine is O=S(=O)(c1ccccc1)N1CCN([C@@H](CCN2CCCCC2)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[(1S)-1-phenyl-3-piperidin-1-ylpropyl]piperazine?
The InChIKey is FWYWFBVYGASSKJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H33N3O2S/c28-30(29,23-12-6-2-7-13-23)27-20-18-26(19-21-27)24(22-10-4-1-5-11-22)14-17-25-15-8-3-9-16-25/h1-2,4-7,10-13,24H,3,8-9,14-21H2/t24-/m0/s1.
What are the key properties of 1-(benzenesulfonyl)-4-[(1S)-1-phenyl-3-piperidin-1-ylpropyl]piperazine?
1-(benzenesulfonyl)-4-[(1S)-1-phenyl-3-piperidin-1-ylpropyl]piperazine has a molecular weight of 427.61 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[(1S)-1-phenyl-3-piperidin-1-ylpropyl]piperazine is sourced from PubChem (CID 141129080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).