(3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one

C22H26N4O4S — CID 40933027

IUPAC(3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)c2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H26N4O4S/c27-21(25-15-13-24(14-16-25)18-7-3-1-4-8-18)17-20-22(28)23-11-12-26(20)31(29,30)19-9-5-2-6-10-19/h1-10,20H,11-17H2,(H,23,28)/t20-/m1/s1
InChIKeyKSPOKROCESQNSH-HXUWFJFHSA-N
MW442.54 g/mol
LogP0.91
Rot. Bonds5

About (3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one

(3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one (PubChem CID 40933027) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is (3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
PubChem CID40933027
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name(3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)c2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H26N4O4S/c27-21(25-15-13-24(14-16-25)18-7-3-1-4-8-18)17-20-22(28)23-11-12-26(20)31(29,30)19-9-5-2-6-10-19/h1-10,20H,11-17H2,(H,23,28)/t20-/m1/s1
InChIKeyKSPOKROCESQNSH-HXUWFJFHSA-N
XLogP0.91
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[(2R)-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 40933065
4-(4-bromophenyl)sulfonyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 16584902
ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate
CID 1479034
2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 39311068
(3S)-4-(2-fluorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 41384841
(3R)-4-(4-bromobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 41384843
(3R)-4-(2-fluorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 41384840
N-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide
CID 17121266
2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid
CID 62034595
2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(2,2-dimethoxyethyl)acetamide
CID 51718191
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione
CID 110703260
(3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one
CID 42382054

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one?
The IUPAC name of (3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one (CID 40933027) is (3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for (3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for (3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one is O=C1NCCN(S(=O)(=O)c2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one?
The InChIKey is KSPOKROCESQNSH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N4O4S/c27-21(25-15-13-24(14-16-25)18-7-3-1-4-8-18)17-20-22(28)23-11-12-26(20)31(29,30)19-9-5-2-6-10-19/h1-10,20H,11-17H2,(H,23,28)/t20-/m1/s1.
What are the key properties of (3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one?
(3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one has a molecular weight of 442.54 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 40933027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).