1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one

C19H33N3O2S — CID 93208810

IUPAC1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN([C@@H](C(=O)N2CCSCC2)C2CCCC2)CC1
InChIInChI=1S/C19H33N3O2S/c1-15(2)18(23)21-9-7-20(8-10-21)17(16-5-3-4-6-16)19(24)22-11-13-25-14-12-22/h15-17H,3-14H2,1-2H3/t17-/m1/s1
InChIKeyWRZMAFAEVIFVCL-QGZVFWFLSA-N
MW367.56 g/mol
LogP1.92
Rot. Bonds4

About 1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one

1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 93208810) has the molecular formula C19H33N3O2S and a molecular weight of 367.56 g/mol. Its IUPAC name is 1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID93208810
Molecular FormulaC19H33N3O2S
Molecular Weight367.56 g/mol
Exact Mass367.23
IUPAC Name1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN([C@@H](C(=O)N2CCSCC2)C2CCCC2)CC1
InChIInChI=1S/C19H33N3O2S/c1-15(2)18(23)21-9-7-20(8-10-21)17(16-5-3-4-6-16)19(24)22-11-13-25-14-12-22/h15-17H,3-14H2,1-2H3/t17-/m1/s1
InChIKeyWRZMAFAEVIFVCL-QGZVFWFLSA-N
XLogP1.92
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide
CID 93221518
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-1-thiomorpholin-4-ylethanone
CID 46024160
4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 46027343
1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 24719217
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
CID 24719805
2-cyclopentyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 24719977
(2R)-2-cyclopentyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 93209177
methyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 42842351
N-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 42842363
(2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 93208442
(2R)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 93208441
1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone
CID 42842330

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one (CID 93208810) is 1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN([C@@H](C(=O)N2CCSCC2)C2CCCC2)CC1.
What is the InChIKey of 1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is WRZMAFAEVIFVCL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H33N3O2S/c1-15(2)18(23)21-9-7-20(8-10-21)17(16-5-3-4-6-16)19(24)22-11-13-25-14-12-22/h15-17H,3-14H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one?
1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 367.56 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 93208810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).