(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone

C20H25N3O3S — CID 119265307

IUPAC(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H25N3O3S/c24-20(19-7-3-4-10-21-19)22-11-13-23(14-12-22)27(25,26)18-9-8-16-5-1-2-6-17(16)15-18/h1-2,5-6,8-9,15,19,21H,3-4,7,10-14H2
InChIKeyYKCQZKZQQOKHIV-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.81
Rot. Bonds3

About (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone

(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone (PubChem CID 119265307) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone
PubChem CID119265307
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H25N3O3S/c24-20(19-7-3-4-10-21-19)22-11-13-23(14-12-22)27(25,26)18-9-8-16-5-1-2-6-17(16)15-18/h1-2,5-6,8-9,15,19,21H,3-4,7,10-14H2
InChIKeyYKCQZKZQQOKHIV-UHFFFAOYSA-N
XLogP1.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 119678305
[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119302923
piperidin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266631
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119265303
(1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 24585778
(3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 119678248
[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119265592
[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 124504662
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119268600
3,4-dihydro-2H-chromen-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 134022212
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090

Frequently Asked Questions

What is the IUPAC name of (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone?
The IUPAC name of (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone (CID 119265307) is (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone is O=C(C1CCCCN1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone?
The InChIKey is YKCQZKZQQOKHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-20(19-7-3-4-10-21-19)22-11-13-23(14-12-22)27(25,26)18-9-8-16-5-1-2-6-17(16)15-18/h1-2,5-6,8-9,15,19,21H,3-4,7,10-14H2.
What are the key properties of (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone?
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone has a molecular weight of 387.51 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 119265307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).