4-(1-hydroxy-2-methylpropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

C13H22N4O2S — CID 46994845

IUPAC4-(1-hydroxy-2-methylpropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(C(O)C(C)C)CC2)n1
InChIInChI=1S/C13H22N4O2S/c1-8(2)11(18)10-4-6-17(7-5-10)13(19)15-12-14-9(3)16-20-12/h8,10-11,18H,4-7H2,1-3H3,(H,14,15,16,19)
InChIKeyKZTNUPXQFXKJDT-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.11
Rot. Bonds3

About 4-(1-hydroxy-2-methylpropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

4-(1-hydroxy-2-methylpropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46994845) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-(1-hydroxy-2-methylpropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxy-2-methylpropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46994845
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-(1-hydroxy-2-methylpropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(C(O)C(C)C)CC2)n1
InChIInChI=1S/C13H22N4O2S/c1-8(2)11(18)10-4-6-17(7-5-10)13(19)15-12-14-9(3)16-20-12/h8,10-11,18H,4-7H2,1-3H3,(H,14,15,16,19)
InChIKeyKZTNUPXQFXKJDT-UHFFFAOYSA-N
XLogP2.11
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-hydroxy-1-methylethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46989669
2-(2-hydroxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992394
2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46998706
4-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46988283
4-(1-hydroxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 50949738
3-(hydroxymethyl)-3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46985552
3-hydroxy-3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46998987
4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46999278
3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46987971
4-(1-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46990672
2-(2-hydroxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide
CID 46990803
4-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46995218

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-methylpropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-hydroxy-2-methylpropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 46994845) is 4-(1-hydroxy-2-methylpropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxy-2-methylpropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-hydroxy-2-methylpropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is Cc1nsc(NC(=O)N2CCC(C(O)C(C)C)CC2)n1.
What is the InChIKey of 4-(1-hydroxy-2-methylpropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is KZTNUPXQFXKJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-8(2)11(18)10-4-6-17(7-5-10)13(19)15-12-14-9(3)16-20-12/h8,10-11,18H,4-7H2,1-3H3,(H,14,15,16,19).
What are the key properties of 4-(1-hydroxy-2-methylpropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4-(1-hydroxy-2-methylpropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-methylpropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46994845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).