3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylpiperidine-1-carboxamide

C13H22N4O2S — CID 46998068

IUPAC3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylpiperidine-1-carboxamide
SMILESCCCC1(CO)CCCN(C(=O)Nc2nc(C)ns2)C1
InChIInChI=1S/C13H22N4O2S/c1-3-5-13(9-18)6-4-7-17(8-13)12(19)15-11-14-10(2)16-20-11/h18H,3-9H2,1-2H3,(H,14,15,16,19)
InChIKeyANMCHVJQPLODNS-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.25
Rot. Bonds4

About 3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylpiperidine-1-carboxamide

3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylpiperidine-1-carboxamide (PubChem CID 46998068) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylpiperidine-1-carboxamide
PubChem CID46998068
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylpiperidine-1-carboxamide
SMILESCCCC1(CO)CCCN(C(=O)Nc2nc(C)ns2)C1
InChIInChI=1S/C13H22N4O2S/c1-3-5-13(9-18)6-4-7-17(8-13)12(19)15-11-14-10(2)16-20-11/h18H,3-9H2,1-2H3,(H,14,15,16,19)
InChIKeyANMCHVJQPLODNS-UHFFFAOYSA-N
XLogP2.25
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
4-(1-hydroxy-2-methylpropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46994845
4-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46995218
3-(1-hydroxy-1-methylethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46995947
3-ethyl-3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46996246

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylpiperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylpiperidine-1-carboxamide (CID 46998068) is 3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylpiperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylpiperidine-1-carboxamide is CCCC1(CO)CCCN(C(=O)Nc2nc(C)ns2)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylpiperidine-1-carboxamide?
The InChIKey is ANMCHVJQPLODNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-5-13(9-18)6-4-7-17(8-13)12(19)15-11-14-10(2)16-20-11/h18H,3-9H2,1-2H3,(H,14,15,16,19).
What are the key properties of 3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylpiperidine-1-carboxamide?
3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylpiperidine-1-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylpiperidine-1-carboxamide is sourced from PubChem (CID 46998068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).