N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

C15H27N5O2 — CID 72870171

IUPACN-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(CC(=O)NCCc2n[nH]c(=O)n2C)CC1
InChIInChI=1S/C15H27N5O2/c1-11(2)20-8-5-12(6-9-20)10-14(21)16-7-4-13-17-18-15(22)19(13)3/h11-12H,4-10H2,1-3H3,(H,16,21)(H,18,22)
InChIKeyFWQKPZCOGUTGNV-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.28
Rot. Bonds6

About N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 72870171) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID72870171
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC NameN-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(CC(=O)NCCc2n[nH]c(=O)n2C)CC1
InChIInChI=1S/C15H27N5O2/c1-11(2)20-8-5-12(6-9-20)10-14(21)16-7-4-13-17-18-15(22)19(13)3/h11-12H,4-10H2,1-3H3,(H,16,21)(H,18,22)
InChIKeyFWQKPZCOGUTGNV-UHFFFAOYSA-N
XLogP0.28
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 72870171) is N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is CC(C)N1CCC(CC(=O)NCCc2n[nH]c(=O)n2C)CC1.
What is the InChIKey of N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is FWQKPZCOGUTGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-11(2)20-8-5-12(6-9-20)10-14(21)16-7-4-13-17-18-15(22)19(13)3/h11-12H,4-10H2,1-3H3,(H,16,21)(H,18,22).
What are the key properties of N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 309.41 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 72870171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).