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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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).