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

C17H20N4O2 — CID 75461930

IUPAC1-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one
SMILESCn1cc(C(=O)N2CCN(Cc3ccccn3)CC2)ccc1=O
InChIInChI=1S/C17H20N4O2/c1-19-12-14(5-6-16(19)22)17(23)21-10-8-20(9-11-21)13-15-4-2-3-7-18-15/h2-7,12H,8-11,13H2,1H3
InChIKeyZXBDKBZZCAJNOF-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.74
Rot. Bonds3

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

1-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one (PubChem CID 75461930) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one
PubChem CID75461930
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one
SMILESCn1cc(C(=O)N2CCN(Cc3ccccn3)CC2)ccc1=O
InChIInChI=1S/C17H20N4O2/c1-19-12-14(5-6-16(19)22)17(23)21-10-8-20(9-11-21)13-15-4-2-3-7-18-15/h2-7,12H,8-11,13H2,1H3
InChIKeyZXBDKBZZCAJNOF-UHFFFAOYSA-N
XLogP0.74
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-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 1-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one (CID 75461930) is 1-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one is Cn1cc(C(=O)N2CCN(Cc3ccccn3)CC2)ccc1=O.
What is the InChIKey of 1-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one?
The InChIKey is ZXBDKBZZCAJNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-19-12-14(5-6-16(19)22)17(23)21-10-8-20(9-11-21)13-15-4-2-3-7-18-15/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one?
1-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one has a molecular weight of 312.37 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 75461930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).