(5S)-1-(2-chlorophenyl)-4-(3-hydroxybenzoyl)-5-methylpiperazin-2-one

C18H17ClN2O3 — CID 96571770

IUPAC(5S)-1-(2-chlorophenyl)-4-(3-hydroxybenzoyl)-5-methylpiperazin-2-one
SMILESC[C@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)c1cccc(O)c1
InChIInChI=1S/C18H17ClN2O3/c1-12-10-21(16-8-3-2-7-15(16)19)17(23)11-20(12)18(24)13-5-4-6-14(22)9-13/h2-9,12,22H,10-11H2,1H3/t12-/m0/s1
InChIKeyGELITRKMVSENPD-LBPRGKRZSA-N
MW344.80 g/mol
LogP2.92
Rot. Bonds2

About (5S)-1-(2-chlorophenyl)-4-(3-hydroxybenzoyl)-5-methylpiperazin-2-one

(5S)-1-(2-chlorophenyl)-4-(3-hydroxybenzoyl)-5-methylpiperazin-2-one (PubChem CID 96571770) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is (5S)-1-(2-chlorophenyl)-4-(3-hydroxybenzoyl)-5-methylpiperazin-2-one.

Molecular Properties

Compound Name(5S)-1-(2-chlorophenyl)-4-(3-hydroxybenzoyl)-5-methylpiperazin-2-one
PubChem CID96571770
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name(5S)-1-(2-chlorophenyl)-4-(3-hydroxybenzoyl)-5-methylpiperazin-2-one
SMILESC[C@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)c1cccc(O)c1
InChIInChI=1S/C18H17ClN2O3/c1-12-10-21(16-8-3-2-7-15(16)19)17(23)11-20(12)18(24)13-5-4-6-14(22)9-13/h2-9,12,22H,10-11H2,1H3/t12-/m0/s1
InChIKeyGELITRKMVSENPD-LBPRGKRZSA-N
XLogP2.92
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(2-chlorophenyl)-4-(3-hydroxybenzoyl)-5-methylpiperazin-2-one?
The IUPAC name of (5S)-1-(2-chlorophenyl)-4-(3-hydroxybenzoyl)-5-methylpiperazin-2-one (CID 96571770) is (5S)-1-(2-chlorophenyl)-4-(3-hydroxybenzoyl)-5-methylpiperazin-2-one.
What is the SMILES notation for (5S)-1-(2-chlorophenyl)-4-(3-hydroxybenzoyl)-5-methylpiperazin-2-one?
The canonical SMILES for (5S)-1-(2-chlorophenyl)-4-(3-hydroxybenzoyl)-5-methylpiperazin-2-one is C[C@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)c1cccc(O)c1.
What is the InChIKey of (5S)-1-(2-chlorophenyl)-4-(3-hydroxybenzoyl)-5-methylpiperazin-2-one?
The InChIKey is GELITRKMVSENPD-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-12-10-21(16-8-3-2-7-15(16)19)17(23)11-20(12)18(24)13-5-4-6-14(22)9-13/h2-9,12,22H,10-11H2,1H3/t12-/m0/s1.
What are the key properties of (5S)-1-(2-chlorophenyl)-4-(3-hydroxybenzoyl)-5-methylpiperazin-2-one?
(5S)-1-(2-chlorophenyl)-4-(3-hydroxybenzoyl)-5-methylpiperazin-2-one has a molecular weight of 344.80 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(2-chlorophenyl)-4-(3-hydroxybenzoyl)-5-methylpiperazin-2-one is sourced from PubChem (CID 96571770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).