(2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one

C15H24N2O2S — CID 99625769

IUPAC(2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one
SMILESCOC[C@H](C)C(=O)N1CCN([C@H](C)c2ccsc2)CC1
InChIInChI=1S/C15H24N2O2S/c1-12(10-19-3)15(18)17-7-5-16(6-8-17)13(2)14-4-9-20-11-14/h4,9,11-13H,5-8,10H2,1-3H3/t12-,13+/m0/s1
InChIKeyUNJCVUYCQUHELJ-QWHCGFSZSA-N
MW296.44 g/mol
LogP2.24
Rot. Bonds5

About (2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one

(2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one (PubChem CID 99625769) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one
PubChem CID99625769
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one
SMILESCOC[C@H](C)C(=O)N1CCN([C@H](C)c2ccsc2)CC1
InChIInChI=1S/C15H24N2O2S/c1-12(10-19-3)15(18)17-7-5-16(6-8-17)13(2)14-4-9-20-11-14/h4,9,11-13H,5-8,10H2,1-3H3/t12-,13+/m0/s1
InChIKeyUNJCVUYCQUHELJ-QWHCGFSZSA-N
XLogP2.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone
CID 86793513
1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol
CID 119036046
cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 86793524
N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308581
N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308401
(3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone
CID 99627550
(5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 75508127
2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one
CID 82511106
3-methoxy-2-(1-thiophen-3-ylethylcarbamoylamino)propanoic acid
CID 81080977
N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide
CID 131960827
oxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 91660630
3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133473932

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of (2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one (CID 99625769) is (2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for (2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one is COC[C@H](C)C(=O)N1CCN([C@H](C)c2ccsc2)CC1.
What is the InChIKey of (2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one?
The InChIKey is UNJCVUYCQUHELJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12(10-19-3)15(18)17-7-5-16(6-8-17)13(2)14-4-9-20-11-14/h4,9,11-13H,5-8,10H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of (2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one?
(2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one has a molecular weight of 296.44 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 99625769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).