2-chloro-5-ethyl-1-(4-phenyl-2-pyridinyl)piperidine-3,4-dione

C18H17ClN2O2 — CID 123377733

IUPAC2-chloro-5-ethyl-1-(4-phenyl-2-pyridinyl)piperidine-3,4-dione
SMILESCCC1CN(c2cc(-c3ccccc3)ccn2)C(Cl)C(=O)C1=O
InChIInChI=1S/C18H17ClN2O2/c1-2-12-11-21(18(19)17(23)16(12)22)15-10-14(8-9-20-15)13-6-4-3-5-7-13/h3-10,12,18H,2,11H2,1H3
InChIKeyYEDGEUICEHKPDG-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.30
Rot. Bonds3

About 2-chloro-5-ethyl-1-(4-phenyl-2-pyridinyl)piperidine-3,4-dione

2-chloro-5-ethyl-1-(4-phenyl-2-pyridinyl)piperidine-3,4-dione (PubChem CID 123377733) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-chloro-5-ethyl-1-(4-phenyl-2-pyridinyl)piperidine-3,4-dione.

Molecular Properties

Compound Name2-chloro-5-ethyl-1-(4-phenyl-2-pyridinyl)piperidine-3,4-dione
PubChem CID123377733
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-chloro-5-ethyl-1-(4-phenyl-2-pyridinyl)piperidine-3,4-dione
SMILESCCC1CN(c2cc(-c3ccccc3)ccn2)C(Cl)C(=O)C1=O
InChIInChI=1S/C18H17ClN2O2/c1-2-12-11-21(18(19)17(23)16(12)22)15-10-14(8-9-20-15)13-6-4-3-5-7-13/h3-10,12,18H,2,11H2,1H3
InChIKeyYEDGEUICEHKPDG-UHFFFAOYSA-N
XLogP3.30
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-chloro-5-ethyl-1-(4-phenyl-2-pyridinyl)piperidine-3,4-dione 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-5-ethyl-1-(4-phenyl-2-pyridinyl)piperidine-3,4-dione?
The IUPAC name of 2-chloro-5-ethyl-1-(4-phenyl-2-pyridinyl)piperidine-3,4-dione (CID 123377733) is 2-chloro-5-ethyl-1-(4-phenyl-2-pyridinyl)piperidine-3,4-dione.
What is the SMILES notation for 2-chloro-5-ethyl-1-(4-phenyl-2-pyridinyl)piperidine-3,4-dione?
The canonical SMILES for 2-chloro-5-ethyl-1-(4-phenyl-2-pyridinyl)piperidine-3,4-dione is CCC1CN(c2cc(-c3ccccc3)ccn2)C(Cl)C(=O)C1=O.
What is the InChIKey of 2-chloro-5-ethyl-1-(4-phenyl-2-pyridinyl)piperidine-3,4-dione?
The InChIKey is YEDGEUICEHKPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-2-12-11-21(18(19)17(23)16(12)22)15-10-14(8-9-20-15)13-6-4-3-5-7-13/h3-10,12,18H,2,11H2,1H3.
What are the key properties of 2-chloro-5-ethyl-1-(4-phenyl-2-pyridinyl)piperidine-3,4-dione?
2-chloro-5-ethyl-1-(4-phenyl-2-pyridinyl)piperidine-3,4-dione has a molecular weight of 328.80 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethyl-1-(4-phenyl-2-pyridinyl)piperidine-3,4-dione is sourced from PubChem (CID 123377733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).