1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-one

C11H13ClN2O — CID 3745943

IUPAC1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN2O/c12-10-5-4-9(7-13-10)8-14-6-2-1-3-11(14)15/h4-5,7H,1-3,6,8H2
InChIKeyPTRUQENBDHGVDI-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.25
Rot. Bonds2

About 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-one

1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-one (PubChem CID 3745943) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-one
PubChem CID3745943
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN2O/c12-10-5-4-9(7-13-10)8-14-6-2-1-3-11(14)15/h4-5,7H,1-3,6,8H2
InChIKeyPTRUQENBDHGVDI-UHFFFAOYSA-N
XLogP2.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[(6-chloro-3-pyridinyl)methyl]piperidin-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-[(6-chloro-3-pyridinyl)methyl]piperidin-2-one?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-one (CID 3745943) is 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-one?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-one is O=C1CCCCN1Cc1ccc(Cl)nc1.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-one?
The InChIKey is PTRUQENBDHGVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-10-5-4-9(7-13-10)8-14-6-2-1-3-11(14)15/h4-5,7H,1-3,6,8H2.
What are the key properties of 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-one?
1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-one has a molecular weight of 224.69 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-one is sourced from PubChem (CID 3745943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).