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

C16H27N5O2 — CID 71972493

IUPACN,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
SMILESCC(C)CC(C(=O)N(C)Cc1ncnn1C)N1CCCCC1=O
InChIInChI=1S/C16H27N5O2/c1-12(2)9-13(21-8-6-5-7-15(21)22)16(23)19(3)10-14-17-11-18-20(14)4/h11-13H,5-10H2,1-4H3
InChIKeyWXPNHIMQTIAQSR-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.20
Rot. Bonds6

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

N,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide (PubChem CID 71972493) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
PubChem CID71972493
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
SMILESCC(C)CC(C(=O)N(C)Cc1ncnn1C)N1CCCCC1=O
InChIInChI=1S/C16H27N5O2/c1-12(2)9-13(21-8-6-5-7-15(21)22)16(23)19(3)10-14-17-11-18-20(14)4/h11-13H,5-10H2,1-4H3
InChIKeyWXPNHIMQTIAQSR-UHFFFAOYSA-N
XLogP1.20
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,4-dimethyl-N-[(2-methyl-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 N,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide?
The IUPAC name of N,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide (CID 71972493) is N,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide.
What is the SMILES notation for N,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide?
The canonical SMILES for N,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide is CC(C)CC(C(=O)N(C)Cc1ncnn1C)N1CCCCC1=O.
What is the InChIKey of N,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide?
The InChIKey is WXPNHIMQTIAQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-12(2)9-13(21-8-6-5-7-15(21)22)16(23)19(3)10-14-17-11-18-20(14)4/h11-13H,5-10H2,1-4H3.
What are the key properties of N,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide?
N,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide has a molecular weight of 321.43 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide is sourced from PubChem (CID 71972493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).