(2-chloro-3-pyridinyl)-piperidin-1-ylmethanone

C11H13ClN2O — CID 4584285

IUPAC(2-chloro-3-pyridinyl)-piperidin-1-ylmethanone
SMILESO=C(c1cccnc1Cl)N1CCCCC1
InChIInChI=1S/C11H13ClN2O/c12-10-9(5-4-6-13-10)11(15)14-7-2-1-3-8-14/h4-6H,1-3,7-8H2
InChIKeyPHTPEDJMJRDQMY-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.36
Rot. Bonds1

About (2-chloro-3-pyridinyl)-piperidin-1-ylmethanone

(2-chloro-3-pyridinyl)-piperidin-1-ylmethanone (PubChem CID 4584285) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-piperidin-1-ylmethanone
PubChem CID4584285
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(2-chloro-3-pyridinyl)-piperidin-1-ylmethanone
SMILESO=C(c1cccnc1Cl)N1CCCCC1
InChIInChI=1S/C11H13ClN2O/c12-10-9(5-4-6-13-10)11(15)14-7-2-1-3-8-14/h4-6H,1-3,7-8H2
InChIKeyPHTPEDJMJRDQMY-UHFFFAOYSA-N
XLogP2.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-chloro-3-pyridinyl)-piperidin-1-ylmethanone 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-chloro-3-pyridinyl)-piperidin-1-ylmethanone?
The IUPAC name of (2-chloro-3-pyridinyl)-piperidin-1-ylmethanone (CID 4584285) is (2-chloro-3-pyridinyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-piperidin-1-ylmethanone is O=C(c1cccnc1Cl)N1CCCCC1.
What is the InChIKey of (2-chloro-3-pyridinyl)-piperidin-1-ylmethanone?
The InChIKey is PHTPEDJMJRDQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-10-9(5-4-6-13-10)11(15)14-7-2-1-3-8-14/h4-6H,1-3,7-8H2.
What are the key properties of (2-chloro-3-pyridinyl)-piperidin-1-ylmethanone?
(2-chloro-3-pyridinyl)-piperidin-1-ylmethanone has a molecular weight of 224.69 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 4584285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).