4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide

C15H25N5O2 — CID 75425524

IUPAC4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
SMILESCc1nc(CNC(=O)C(CC(C)C)N2CCCCC2=O)n[nH]1
InChIInChI=1S/C15H25N5O2/c1-10(2)8-12(20-7-5-4-6-14(20)21)15(22)16-9-13-17-11(3)18-19-13/h10,12H,4-9H2,1-3H3,(H,16,22)(H,17,18,19)
InChIKeyUFIADVAWOBQEQR-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.16
Rot. Bonds6

About 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide

4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide (PubChem CID 75425524) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
PubChem CID75425524
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
SMILESCc1nc(CNC(=O)C(CC(C)C)N2CCCCC2=O)n[nH]1
InChIInChI=1S/C15H25N5O2/c1-10(2)8-12(20-7-5-4-6-14(20)21)15(22)16-9-13-17-11(3)18-19-13/h10,12H,4-9H2,1-3H3,(H,16,22)(H,17,18,19)
InChIKeyUFIADVAWOBQEQR-UHFFFAOYSA-N
XLogP1.16
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide 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 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide?
The IUPAC name of 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide (CID 75425524) is 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide.
What is the SMILES notation for 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide?
The canonical SMILES for 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide is Cc1nc(CNC(=O)C(CC(C)C)N2CCCCC2=O)n[nH]1.
What is the InChIKey of 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide?
The InChIKey is UFIADVAWOBQEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-10(2)8-12(20-7-5-4-6-14(20)21)15(22)16-9-13-17-11(3)18-19-13/h10,12H,4-9H2,1-3H3,(H,16,22)(H,17,18,19).
What are the key properties of 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide?
4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide has a molecular weight of 307.40 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide is sourced from PubChem (CID 75425524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).