1-(2-chlorophenyl)-4-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-2-one

C18H18ClN3O2S — CID 97127412

IUPAC1-(2-chlorophenyl)-4-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-2-one
SMILESC[C@@H](Sc1ccccn1)C(=O)N1CCN(c2ccccc2Cl)C(=O)C1
InChIInChI=1S/C18H18ClN3O2S/c1-13(25-16-8-4-5-9-20-16)18(24)21-10-11-22(17(23)12-21)15-7-3-2-6-14(15)19/h2-9,13H,10-12H2,1H3/t13-/m1/s1
InChIKeyUZOHEGAWZXAFAV-CYBMUJFWSA-N
MW375.88 g/mol
LogP3.09
Rot. Bonds4

About 1-(2-chlorophenyl)-4-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-2-one

1-(2-chlorophenyl)-4-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-2-one (PubChem CID 97127412) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-2-one
PubChem CID97127412
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name1-(2-chlorophenyl)-4-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-2-one
SMILESC[C@@H](Sc1ccccn1)C(=O)N1CCN(c2ccccc2Cl)C(=O)C1
InChIInChI=1S/C18H18ClN3O2S/c1-13(25-16-8-4-5-9-20-16)18(24)21-10-11-22(17(23)12-21)15-7-3-2-6-14(15)19/h2-9,13H,10-12H2,1H3/t13-/m1/s1
InChIKeyUZOHEGAWZXAFAV-CYBMUJFWSA-N
XLogP3.09
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[4-(2-chlorophenyl)-3-oxopiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 96582137
(2S)-3-methyl-2-[4-[(2S)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-1-yl]butanenitrile
CID 97030708
tert-butyl 4-(2-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 67112342
1-(2-methylmorpholin-4-yl)-2-pyridin-2-ylsulfanylpropan-1-one
CID 78832095
1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one
CID 70774838
(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-pyridin-2-ylsulfanylpropan-1-one
CID 41299266
4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one
CID 157423766
(2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 164643877
1-(2-chlorophenyl)-4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]piperazin-2-one
CID 70740982
1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one
CID 70761405
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878
N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 16530287

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-2-one (CID 97127412) is 1-(2-chlorophenyl)-4-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-2-one is C[C@@H](Sc1ccccn1)C(=O)N1CCN(c2ccccc2Cl)C(=O)C1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-2-one?
The InChIKey is UZOHEGAWZXAFAV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-13(25-16-8-4-5-9-20-16)18(24)21-10-11-22(17(23)12-21)15-7-3-2-6-14(15)19/h2-9,13H,10-12H2,1H3/t13-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-4-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-2-one?
1-(2-chlorophenyl)-4-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-2-one has a molecular weight of 375.88 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-2-one is sourced from PubChem (CID 97127412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).