3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione

C16H13ClN2O2 — CID 79429891

IUPAC3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione
SMILESO=C1CC(c2cccnc2)C(c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C16H13ClN2O2/c17-12-5-3-10(4-6-12)15-13(8-14(20)19-16(15)21)11-2-1-7-18-9-11/h1-7,9,13,15H,8H2,(H,19,20,21)
InChIKeyLWSCYVOSFKNXCR-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.65
Rot. Bonds2

About 3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione

3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione (PubChem CID 79429891) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione
PubChem CID79429891
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione
SMILESO=C1CC(c2cccnc2)C(c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C16H13ClN2O2/c17-12-5-3-10(4-6-12)15-13(8-14(20)19-16(15)21)11-2-1-7-18-9-11/h1-7,9,13,15H,8H2,(H,19,20,21)
InChIKeyLWSCYVOSFKNXCR-UHFFFAOYSA-N
XLogP2.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione
CID 79321168
3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine
CID 79434183
3-(3-chlorophenyl)-4-thiophen-3-ylpiperidine-2,6-dione
CID 79433782
ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione
CID 177198142
3-(4-chlorophenyl)-4-pentan-3-ylpiperidine-2,6-dione
CID 79434036
6-chloro-6-(2,6-difluorophenyl)-5-pyridin-3-ylpiperidin-2-one
CID 142452969
6-pyridin-3-yldiazinan-3-one
CID 20559353
(2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6924944
5-(4-chlorophenyl)-3-methyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 14649303
(4S,5S)-5-pyridin-3-yl-4-thiophen-2-ylpyrrolidin-2-one
CID 15309314
4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione
CID 79320189
methyl (3S,4S)-2-oxo-4-pyridin-3-ylpyrrolidine-3-carboxylate
CID 97416726

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione (CID 79429891) is 3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione is O=C1CC(c2cccnc2)C(c2ccc(Cl)cc2)C(=O)N1.
What is the InChIKey of 3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione?
The InChIKey is LWSCYVOSFKNXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-12-5-3-10(4-6-12)15-13(8-14(20)19-16(15)21)11-2-1-7-18-9-11/h1-7,9,13,15H,8H2,(H,19,20,21).
What are the key properties of 3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione?
3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione has a molecular weight of 300.75 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione is sourced from PubChem (CID 79429891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).