(5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one

C19H22N2O3S — CID 96575287

IUPAC(5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one
SMILESCOc1ccccc1N1C[C@@H](C)N(C(=O)CCc2ccsc2)CC1=O
InChIInChI=1S/C19H22N2O3S/c1-14-11-21(16-5-3-4-6-17(16)24-2)19(23)12-20(14)18(22)8-7-15-9-10-25-13-15/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3/t14-/m1/s1
InChIKeyQFYVHKYUWVUPFN-CQSZACIVSA-N
MW358.46 g/mol
LogP2.95
Rot. Bonds5

About (5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one

(5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one (PubChem CID 96575287) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name(5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one
PubChem CID96575287
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one
SMILESCOc1ccccc1N1C[C@@H](C)N(C(=O)CCc2ccsc2)CC1=O
InChIInChI=1S/C19H22N2O3S/c1-14-11-21(16-5-3-4-6-17(16)24-2)19(23)12-20(14)18(22)8-7-15-9-10-25-13-15/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3/t14-/m1/s1
InChIKeyQFYVHKYUWVUPFN-CQSZACIVSA-N
XLogP2.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
CID 70740670
4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide
CID 70709347
1-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoyl]piperazin-2-one
CID 70726432
1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 56819347
1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691292
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
1-[(2R,3S)-2,3-dimethylthiomorpholin-4-yl]-3-thiophen-3-ylpropan-1-one
CID 95630068
(3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione
CID 7693903
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7545638
(3S)-2-(3-thiophen-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 9363442
1-[(3R)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 124614824

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one?
The IUPAC name of (5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one (CID 96575287) is (5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one.
What is the SMILES notation for (5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one?
The canonical SMILES for (5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one is COc1ccccc1N1C[C@@H](C)N(C(=O)CCc2ccsc2)CC1=O.
What is the InChIKey of (5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one?
The InChIKey is QFYVHKYUWVUPFN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-11-21(16-5-3-4-6-17(16)24-2)19(23)12-20(14)18(22)8-7-15-9-10-25-13-15/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one?
(5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one has a molecular weight of 358.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one is sourced from PubChem (CID 96575287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).