(3S)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one

C17H17ClN2O3S — CID 93292622

IUPAC(3S)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)c2cccs2)[C@@H](C)C1=O
InChIInChI=1S/C17H17ClN2O3S/c1-11-16(21)20(13-10-12(18)5-6-14(13)23-2)8-7-19(11)17(22)15-4-3-9-24-15/h3-6,9-11H,7-8H2,1-2H3/t11-/m0/s1
InChIKeyRHBORTYJEHLLJP-NSHDSACASA-N
MW364.85 g/mol
LogP3.29
Rot. Bonds3

About (3S)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one

(3S)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one (PubChem CID 93292622) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is (3S)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
PubChem CID93292622
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name(3S)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)c2cccs2)[C@@H](C)C1=O
InChIInChI=1S/C17H17ClN2O3S/c1-11-16(21)20(13-10-12(18)5-6-14(13)23-2)8-7-19(11)17(22)15-4-3-9-24-15/h3-6,9-11H,7-8H2,1-2H3/t11-/m0/s1
InChIKeyRHBORTYJEHLLJP-NSHDSACASA-N
XLogP3.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The IUPAC name of (3S)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one (CID 93292622) is (3S)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one.
What is the SMILES notation for (3S)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The canonical SMILES for (3S)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one is COc1ccc(Cl)cc1N1CCN(C(=O)c2cccs2)[C@@H](C)C1=O.
What is the InChIKey of (3S)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The InChIKey is RHBORTYJEHLLJP-NSHDSACASA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-11-16(21)20(13-10-12(18)5-6-14(13)23-2)8-7-19(11)17(22)15-4-3-9-24-15/h3-6,9-11H,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
(3S)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one has a molecular weight of 364.85 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 93292622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).