N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide

C11H19N5O3S — CID 47937369

IUPACN-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NC1CCCN(S(C)(=O)=O)C1)n1cncn1
InChIInChI=1S/C11H19N5O3S/c1-9(16-8-12-7-13-16)11(17)14-10-4-3-5-15(6-10)20(2,18)19/h7-10H,3-6H2,1-2H3,(H,14,17)
InChIKeyOBAWUHBKCCERMV-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.62
Rot. Bonds4

About N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide

N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 47937369) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID47937369
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC NameN-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NC1CCCN(S(C)(=O)=O)C1)n1cncn1
InChIInChI=1S/C11H19N5O3S/c1-9(16-8-12-7-13-16)11(17)14-10-4-3-5-15(6-10)20(2,18)19/h7-10H,3-6H2,1-2H3,(H,14,17)
InChIKeyOBAWUHBKCCERMV-UHFFFAOYSA-N
XLogP-0.62
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45893430
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71898049
N-(2-acetamidoethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 72043970
2-(4,4-dioxo-4lambda6-thia-5-azaspiro[2.5]octan-5-yl)-N-(1-propan-2-yl-1,2,4-triazol-3-yl)acetamide
CID 138008906
N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide
CID 43167655
N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 43345765
1-(4-Aminopiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 43556264
N-(2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43600286
N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide
CID 43602106
N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 43602112
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43603166

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide (CID 47937369) is N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)NC1CCCN(S(C)(=O)=O)C1)n1cncn1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is OBAWUHBKCCERMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-9(16-8-12-7-13-16)11(17)14-10-4-3-5-15(6-10)20(2,18)19/h7-10H,3-6H2,1-2H3,(H,14,17).
What are the key properties of N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 301.37 g/mol, XLogP of -0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 47937369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).