1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one

C16H14Cl2N2O2S — CID 46036548

IUPAC1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESCC1C(=O)N(c2ccc(Cl)cc2Cl)CCN1C(=O)c1cccs1
InChIInChI=1S/C16H14Cl2N2O2S/c1-10-15(21)20(13-5-4-11(17)9-12(13)18)7-6-19(10)16(22)14-3-2-8-23-14/h2-5,8-10H,6-7H2,1H3
InChIKeyQOIYOCXNNCJZKE-UHFFFAOYSA-N
MW369.27 g/mol
LogP3.93
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one

1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one (PubChem CID 46036548) has the molecular formula C16H14Cl2N2O2S and a molecular weight of 369.27 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
PubChem CID46036548
Molecular FormulaC16H14Cl2N2O2S
Molecular Weight369.27 g/mol
Exact Mass368.02
IUPAC Name1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESCC1C(=O)N(c2ccc(Cl)cc2Cl)CCN1C(=O)c1cccs1
InChIInChI=1S/C16H14Cl2N2O2S/c1-10-15(21)20(13-5-4-11(17)9-12(13)18)7-6-19(10)16(22)14-3-2-8-23-14/h2-5,8-10H,6-7H2,1H3
InChIKeyQOIYOCXNNCJZKE-UHFFFAOYSA-N
XLogP3.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292395
(3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292476
1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718943
(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292626
1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036549
(3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
CID 93322023
(3R)-1-(2,4-dichlorophenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 93322651
3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718890
(3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292450
(3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 93322816
(3S)-1-(4-chloro-2-methylphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93323347
(3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292435

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one (CID 46036548) is 1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one is CC1C(=O)N(c2ccc(Cl)cc2Cl)CCN1C(=O)c1cccs1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The InChIKey is QOIYOCXNNCJZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2S/c1-10-15(21)20(13-5-4-11(17)9-12(13)18)7-6-19(10)16(22)14-3-2-8-23-14/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one has a molecular weight of 369.27 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 46036548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).