(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one

C16H24N2O4S — CID 95133049

IUPAC(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
SMILESCCOc1ccccc1N1CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1
InChIInChI=1S/C16H24N2O4S/c1-4-22-15-8-6-5-7-14(15)17-9-11-18(12-10-17)16(19)13(2)23(3,20)21/h5-8,13H,4,9-12H2,1-3H3/t13-/m1/s1
InChIKeyBXYGUIYHXDQJNP-CYBMUJFWSA-N
MW340.45 g/mol
LogP1.17
Rot. Bonds5

About (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one

(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one (PubChem CID 95133049) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
PubChem CID95133049
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
SMILESCCOc1ccccc1N1CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1
InChIInChI=1S/C16H24N2O4S/c1-4-22-15-8-6-5-7-14(15)17-9-11-18(12-10-17)16(19)13(2)23(3,20)21/h5-8,13H,4,9-12H2,1-3H3/t13-/m1/s1
InChIKeyBXYGUIYHXDQJNP-CYBMUJFWSA-N
XLogP1.17
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 3313073
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 47031332
N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
CID 24538543
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9415328
N-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 2912073
N-[(2S,3S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613117
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 51082075
(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 40783173
1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 42696645
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 86925847
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 78815634
2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 131907631

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one?
The IUPAC name of (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one (CID 95133049) is (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one.
What is the SMILES notation for (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one?
The canonical SMILES for (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one is CCOc1ccccc1N1CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1.
What is the InChIKey of (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one?
The InChIKey is BXYGUIYHXDQJNP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-4-22-15-8-6-5-7-14(15)17-9-11-18(12-10-17)16(19)13(2)23(3,20)21/h5-8,13H,4,9-12H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one?
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one has a molecular weight of 340.45 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one is sourced from PubChem (CID 95133049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).