2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one

C15H23N3O2 — CID 99811768

IUPAC2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCN(CC(C)C)CC2)c[nH]1
InChIInChI=1S/C15H23N3O2/c1-11(2)10-17-4-6-18(7-5-17)15(20)13-9-16-12(3)8-14(13)19/h8-9,11H,4-7,10H2,1-3H3,(H,16,19)
InChIKeyZZLFOJHEIBXMDL-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.10
Rot. Bonds3

About 2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one

2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one (PubChem CID 99811768) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one
PubChem CID99811768
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCN(CC(C)C)CC2)c[nH]1
InChIInChI=1S/C15H23N3O2/c1-11(2)10-17-4-6-18(7-5-17)15(20)13-9-16-12(3)8-14(13)19/h8-9,11H,4-7,10H2,1-3H3,(H,16,19)
InChIKeyZZLFOJHEIBXMDL-UHFFFAOYSA-N
XLogP1.10
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one (CID 99811768) is 2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCN(CC(C)C)CC2)c[nH]1.
What is the InChIKey of 2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one?
The InChIKey is ZZLFOJHEIBXMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)10-17-4-6-18(7-5-17)15(20)13-9-16-12(3)8-14(13)19/h8-9,11H,4-7,10H2,1-3H3,(H,16,19).
What are the key properties of 2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one?
2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one has a molecular weight of 277.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 99811768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).