1-(1-benzylpiperidin-4-yl)-4-naphthalen-2-ylsulfonylpiperazine

C26H31N3O2S — CID 2902670

IUPAC1-(1-benzylpiperidin-4-yl)-4-naphthalen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C26H31N3O2S/c30-32(31,26-11-10-23-8-4-5-9-24(23)20-26)29-18-16-28(17-19-29)25-12-14-27(15-13-25)21-22-6-2-1-3-7-22/h1-11,20,25H,12-19,21H2
InChIKeyQPHSFTYRIDFEGI-UHFFFAOYSA-N
MW449.62 g/mol
LogP3.81
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-4-naphthalen-2-ylsulfonylpiperazine

1-(1-benzylpiperidin-4-yl)-4-naphthalen-2-ylsulfonylpiperazine (PubChem CID 2902670) has the molecular formula C26H31N3O2S and a molecular weight of 449.62 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-4-naphthalen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-4-naphthalen-2-ylsulfonylpiperazine
PubChem CID2902670
Molecular FormulaC26H31N3O2S
Molecular Weight449.62 g/mol
Exact Mass449.21
IUPAC Name1-(1-benzylpiperidin-4-yl)-4-naphthalen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C26H31N3O2S/c30-32(31,26-11-10-23-8-4-5-9-24(23)20-26)29-18-16-28(17-19-29)25-12-14-27(15-13-25)21-22-6-2-1-3-7-22/h1-11,20,25H,12-19,21H2
InChIKeyQPHSFTYRIDFEGI-UHFFFAOYSA-N
XLogP3.81
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
CID 118314265
N-(Cyclohexylmethyl)-N-(3-(4-phenylpiperazin-1-yl)propyl)naphthalene-2-sulfonamide
CID 46232622
1-(1-Benzyl-4-piperidinyl)-4-(phenylsulfonyl)piperazine
CID 1131737
N-(2-((3-(4-(aminomethyl)phenyl)propyl)(methyl)amino)ethyl)naphthalene-2-sulfonamide
CID 10112313
(2R)-2-[2-(4-methyl-1-piperidinyl)ethyl]-1-(1-naphthalenylsulfonyl)-piperidine
CID 10597140
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]naphthalene-1-sulfonamide
CID 11560285
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]naphthalene-2-sulfonamide
CID 11610908
(8aR,12aS,13aS)-12-(benzenesulfonyl)-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
CID 14307722
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]naphthalene-2-sulfonamide
CID 21091965
Naphthalene-2-sulfonic acid [3-(4-benzyl-piperazin-1-yl)-propyl]-amide
CID 36418162
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide
CID 44296926
Naphthalene-2-sulfonic acid isopropyl-[3-(4-methyl-piperazin-1-yl)-phenyl]-amide
CID 46934428

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-naphthalen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-naphthalen-2-ylsulfonylpiperazine (CID 2902670) is 1-(1-benzylpiperidin-4-yl)-4-naphthalen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-4-naphthalen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-4-naphthalen-2-ylsulfonylpiperazine is O=S(=O)(c1ccc2ccccc2c1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-4-naphthalen-2-ylsulfonylpiperazine?
The InChIKey is QPHSFTYRIDFEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2S/c30-32(31,26-11-10-23-8-4-5-9-24(23)20-26)29-18-16-28(17-19-29)25-12-14-27(15-13-25)21-22-6-2-1-3-7-22/h1-11,20,25H,12-19,21H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-4-naphthalen-2-ylsulfonylpiperazine?
1-(1-benzylpiperidin-4-yl)-4-naphthalen-2-ylsulfonylpiperazine has a molecular weight of 449.62 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-4-naphthalen-2-ylsulfonylpiperazine is sourced from PubChem (CID 2902670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).