N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide

C11H19N5O — CID 43602112

IUPACN-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N(C)C1CCNCC1)n1cncn1
InChIInChI=1S/C11H19N5O/c1-9(16-8-13-7-14-16)11(17)15(2)10-3-5-12-6-4-10/h7-10,12H,3-6H2,1-2H3
InChIKeyBNNOUTSXJVZNMU-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.05
Rot. Bonds3

About N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide

N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43602112) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID43602112
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N(C)C1CCNCC1)n1cncn1
InChIInChI=1S/C11H19N5O/c1-9(16-8-13-7-14-16)11(17)15(2)10-3-5-12-6-4-10/h7-10,12H,3-6H2,1-2H3
InChIKeyBNNOUTSXJVZNMU-UHFFFAOYSA-N
XLogP0.05
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide (CID 43602112) is N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)N(C)C1CCNCC1)n1cncn1.
What is the InChIKey of N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is BNNOUTSXJVZNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-9(16-8-13-7-14-16)11(17)15(2)10-3-5-12-6-4-10/h7-10,12H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide?
N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 237.31 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43602112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).