1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one

C24H26N2O3S — CID 52687569

IUPAC1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one
SMILESO=C(CCc1ccc2ccccc2c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C24H26N2O3S/c27-24(13-11-20-10-12-22-8-4-5-9-23(22)18-20)25-14-16-26(17-15-25)30(28,29)19-21-6-2-1-3-7-21/h1-10,12,18H,11,13-17,19H2
InChIKeyHZPZCEMMVYSKBA-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.45
Rot. Bonds6

About 1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one

1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one (PubChem CID 52687569) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one
PubChem CID52687569
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one
SMILESO=C(CCc1ccc2ccccc2c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C24H26N2O3S/c27-24(13-11-20-10-12-22-8-4-5-9-23(22)18-20)25-14-16-26(17-15-25)30(28,29)19-21-6-2-1-3-7-21/h1-10,12,18H,11,13-17,19H2
InChIKeyHZPZCEMMVYSKBA-UHFFFAOYSA-N
XLogP3.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 52687597
1-(4-benzylsulfonylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 9298890
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 55854604
1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 55854723
2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid
CID 119178286
1-(4-benzylsulfonylpiperazin-1-yl)-4-(4-ethylphenyl)butane-1,4-dione
CID 27757239
N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide
CID 32502208
1-(4-benzylsulfonylpiperazin-1-yl)-3-(3-methylphenoxy)propan-1-one
CID 9298614
1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 60520755
1-(4-benzylsulfonylpiperazin-1-yl)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55668973
3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one
CID 78860534
2-(4-aminophenyl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone;hydrochloride
CID 119687217

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one?
The IUPAC name of 1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one (CID 52687569) is 1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one is O=C(CCc1ccc2ccccc2c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one?
The InChIKey is HZPZCEMMVYSKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c27-24(13-11-20-10-12-22-8-4-5-9-23(22)18-20)25-14-16-26(17-15-25)30(28,29)19-21-6-2-1-3-7-21/h1-10,12,18H,11,13-17,19H2.
What are the key properties of 1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one?
1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one has a molecular weight of 422.55 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 52687569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).