(3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one

C13H22N4OS — CID 125174779

IUPAC(3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
SMILESCc1nnc(CN2CCN(CC(C)C)C(=O)[C@H]2C)s1
InChIInChI=1S/C13H22N4OS/c1-9(2)7-17-6-5-16(10(3)13(17)18)8-12-15-14-11(4)19-12/h9-10H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyGCNRPXGRLXFIMK-SNVBAGLBSA-N
MW282.41 g/mol
LogP1.54
Rot. Bonds4

About (3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one

(3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one (PubChem CID 125174779) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is (3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
PubChem CID125174779
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name(3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
SMILESCc1nnc(CN2CCN(CC(C)C)C(=O)[C@H]2C)s1
InChIInChI=1S/C13H22N4OS/c1-9(2)7-17-6-5-16(10(3)13(17)18)8-12-15-14-11(4)19-12/h9-10H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyGCNRPXGRLXFIMK-SNVBAGLBSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one with MolForge

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Related Compounds

(3S)-4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 95723749
(3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 95710005
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 70784052
4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 70776408
(3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 136829958
1,3-dimethyl-4-(2-methylpropyl)piperazin-2-one
CID 126991943
2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 56908582
methyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate
CID 95728178
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxylic acid
CID 122558218
3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one
CID 166226447
4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one
CID 80613588
N-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 134701294

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one?
The IUPAC name of (3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one (CID 125174779) is (3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one is Cc1nnc(CN2CCN(CC(C)C)C(=O)[C@H]2C)s1.
What is the InChIKey of (3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one?
The InChIKey is GCNRPXGRLXFIMK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-9(2)7-17-6-5-16(10(3)13(17)18)8-12-15-14-11(4)19-12/h9-10H,5-8H2,1-4H3/t10-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one?
(3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one has a molecular weight of 282.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 125174779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).