N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide

C15H27N5O — CID 50964849

IUPACN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide
SMILESCc1nc(C)n(CCNC(=O)CCC2CCCCN2C)n1
InChIInChI=1S/C15H27N5O/c1-12-17-13(2)20(18-12)11-9-16-15(21)8-7-14-6-4-5-10-19(14)3/h14H,4-11H2,1-3H3,(H,16,21)
InChIKeyBPKPDOHUTKQNPZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.28
Rot. Bonds6

About N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide (PubChem CID 50964849) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide
PubChem CID50964849
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide
SMILESCc1nc(C)n(CCNC(=O)CCC2CCCCN2C)n1
InChIInChI=1S/C15H27N5O/c1-12-17-13(2)20(18-12)11-9-16-15(21)8-7-14-6-4-5-10-19(14)3/h14H,4-11H2,1-3H3,(H,16,21)
InChIKeyBPKPDOHUTKQNPZ-UHFFFAOYSA-N
XLogP1.28
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide (CID 50964849) is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide is Cc1nc(C)n(CCNC(=O)CCC2CCCCN2C)n1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide?
The InChIKey is BPKPDOHUTKQNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-12-17-13(2)20(18-12)11-9-16-15(21)8-7-14-6-4-5-10-19(14)3/h14H,4-11H2,1-3H3,(H,16,21).
What are the key properties of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide?
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(1-methylpiperidin-2-yl)propanamide is sourced from PubChem (CID 50964849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).