3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C23H26N4O5S — CID 27509133

IUPAC3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H26N4O5S/c28-20(16-27-21(29)23(24-22(27)30)9-3-4-10-23)25-11-13-26(14-12-25)33(31,32)19-8-7-17-5-1-2-6-18(17)15-19/h1-2,5-8,15H,3-4,9-14,16H2,(H,24,30)
InChIKeyRPOGAZXWIGZSHY-UHFFFAOYSA-N
MW470.55 g/mol
LogP1.54
Rot. Bonds4

About 3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 27509133) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID27509133
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H26N4O5S/c28-20(16-27-21(29)23(24-22(27)30)9-3-4-10-23)25-11-13-26(14-12-25)33(31,32)19-8-7-17-5-1-2-6-18(17)15-19/h1-2,5-8,15H,3-4,9-14,16H2,(H,24,30)
InChIKeyRPOGAZXWIGZSHY-UHFFFAOYSA-N
XLogP1.54
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 22108936
3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2086674
3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 24819748
3,3-dimethyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one
CID 17478579
2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 9495933
3-(2-morpholin-4-yl-2-oxoethyl)-8-naphthalen-2-ylsulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3954041
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462
2-(4-bromopyrazol-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 52667917
3-(2-oxo-2-piperazin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24694836
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 47093750
3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 42909139
2-(cyclopropylmethylamino)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 119678254

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 27509133) is 3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is RPOGAZXWIGZSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c28-20(16-27-21(29)23(24-22(27)30)9-3-4-10-23)25-11-13-26(14-12-25)33(31,32)19-8-7-17-5-1-2-6-18(17)15-19/h1-2,5-8,15H,3-4,9-14,16H2,(H,24,30).
What are the key properties of 3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 470.55 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 27509133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).