(3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one

C18H20N2O3S — CID 93292435

IUPAC(3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESCCOc1ccc(N2CCN(C(=O)c3cccs3)[C@H](C)C2=O)cc1
InChIInChI=1S/C18H20N2O3S/c1-3-23-15-8-6-14(7-9-15)20-11-10-19(13(2)17(20)21)18(22)16-5-4-12-24-16/h4-9,12-13H,3,10-11H2,1-2H3/t13-/m1/s1
InChIKeyIWAAIPHXMBBMFV-CYBMUJFWSA-N
MW344.44 g/mol
LogP3.02
Rot. Bonds4

About (3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one

(3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one (PubChem CID 93292435) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
PubChem CID93292435
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESCCOc1ccc(N2CCN(C(=O)c3cccs3)[C@H](C)C2=O)cc1
InChIInChI=1S/C18H20N2O3S/c1-3-23-15-8-6-14(7-9-15)20-11-10-19(13(2)17(20)21)18(22)16-5-4-12-24-16/h4-9,12-13H,3,10-11H2,1-2H3/t13-/m1/s1
InChIKeyIWAAIPHXMBBMFV-CYBMUJFWSA-N
XLogP3.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292450
3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718890
1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one
CID 46036035
(3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292395
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)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 46036548
(3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292476
(3S)-1-(4-methoxyphenyl)-3-methyl-4-(thiophene-3-carbonyl)piperazin-2-one
CID 96579371
4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 42847339
(3S)-4-(3-bromobenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 93290677
(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium
CID 8554666

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The IUPAC name of (3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one (CID 93292435) is (3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one.
What is the SMILES notation for (3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The canonical SMILES for (3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one is CCOc1ccc(N2CCN(C(=O)c3cccs3)[C@H](C)C2=O)cc1.
What is the InChIKey of (3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The InChIKey is IWAAIPHXMBBMFV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-23-15-8-6-14(7-9-15)20-11-10-19(13(2)17(20)21)18(22)16-5-4-12-24-16/h4-9,12-13H,3,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
(3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one has a molecular weight of 344.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 93292435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).