1-methyl-3-(piperazine-1-carbonyl)pyridin-2-one

C11H15N3O2 — CID 71066842

IUPAC1-methyl-3-(piperazine-1-carbonyl)pyridin-2-one
SMILESCn1cccc(C(=O)N2CCNCC2)c1=O
InChIInChI=1S/C11H15N3O2/c1-13-6-2-3-9(10(13)15)11(16)14-7-4-12-5-8-14/h2-3,6,12H,4-5,7-8H2,1H3
InChIKeyNYFZTTWADTWDBW-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.57
Rot. Bonds1

About 1-methyl-3-(piperazine-1-carbonyl)pyridin-2-one

1-methyl-3-(piperazine-1-carbonyl)pyridin-2-one (PubChem CID 71066842) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-methyl-3-(piperazine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(piperazine-1-carbonyl)pyridin-2-one
PubChem CID71066842
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-methyl-3-(piperazine-1-carbonyl)pyridin-2-one
SMILESCn1cccc(C(=O)N2CCNCC2)c1=O
InChIInChI=1S/C11H15N3O2/c1-13-6-2-3-9(10(13)15)11(16)14-7-4-12-5-8-14/h2-3,6,12H,4-5,7-8H2,1H3
InChIKeyNYFZTTWADTWDBW-UHFFFAOYSA-N
XLogP-0.57
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(piperazine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-methyl-3-(piperazine-1-carbonyl)pyridin-2-one (CID 71066842) is 1-methyl-3-(piperazine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(piperazine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-methyl-3-(piperazine-1-carbonyl)pyridin-2-one is Cn1cccc(C(=O)N2CCNCC2)c1=O.
What is the InChIKey of 1-methyl-3-(piperazine-1-carbonyl)pyridin-2-one?
The InChIKey is NYFZTTWADTWDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-13-6-2-3-9(10(13)15)11(16)14-7-4-12-5-8-14/h2-3,6,12H,4-5,7-8H2,1H3.
What are the key properties of 1-methyl-3-(piperazine-1-carbonyl)pyridin-2-one?
1-methyl-3-(piperazine-1-carbonyl)pyridin-2-one has a molecular weight of 221.26 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(piperazine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 71066842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).