2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one

C15H23N3O2 — CID 91643778

IUPAC2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCN(C)CC2C(C)C)c[nH]1
InChIInChI=1S/C15H23N3O2/c1-10(2)13-9-17(4)5-6-18(13)15(20)12-8-16-11(3)7-14(12)19/h7-8,10,13H,5-6,9H2,1-4H3,(H,16,19)
InChIKeyTXCTZBXQNORQLP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.10
Rot. Bonds2

About 2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one

2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one (PubChem CID 91643778) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one
PubChem CID91643778
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCN(C)CC2C(C)C)c[nH]1
InChIInChI=1S/C15H23N3O2/c1-10(2)13-9-17(4)5-6-18(13)15(20)12-8-16-11(3)7-14(12)19/h7-8,10,13H,5-6,9H2,1-4H3,(H,16,19)
InChIKeyTXCTZBXQNORQLP-UHFFFAOYSA-N
XLogP1.10
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one 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 2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one (CID 91643778) is 2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCN(C)CC2C(C)C)c[nH]1.
What is the InChIKey of 2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one?
The InChIKey is TXCTZBXQNORQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)13-9-17(4)5-6-18(13)15(20)12-8-16-11(3)7-14(12)19/h7-8,10,13H,5-6,9H2,1-4H3,(H,16,19).
What are the key properties of 2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one?
2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one has a molecular weight of 277.37 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one is sourced from PubChem (CID 91643778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).