3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione

C23H24ClFN2O2 — CID 24774715

IUPAC3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
SMILESO=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(Cl)c(F)c3)CC2)C(=O)N1
InChIInChI=1S/C23H24ClFN2O2/c24-19-7-6-16(14-20(19)25)15-27-12-9-18(10-13-27)23(17-4-2-1-3-5-17)11-8-21(28)26-22(23)29/h1-7,14,18H,8-13,15H2,(H,26,28,29)
InChIKeyLSWCBBNEHRUABL-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.07
Rot. Bonds4

About 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione

3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione (PubChem CID 24774715) has the molecular formula C23H24ClFN2O2 and a molecular weight of 414.91 g/mol. Its IUPAC name is 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
PubChem CID24774715
Molecular FormulaC23H24ClFN2O2
Molecular Weight414.91 g/mol
Exact Mass414.15
IUPAC Name3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
SMILESO=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(Cl)c(F)c3)CC2)C(=O)N1
InChIInChI=1S/C23H24ClFN2O2/c24-19-7-6-16(14-20(19)25)15-27-12-9-18(10-13-27)23(17-4-2-1-3-5-17)11-8-21(28)26-22(23)29/h1-7,14,18H,8-13,15H2,(H,26,28,29)
InChIKeyLSWCBBNEHRUABL-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione?
The IUPAC name of 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione (CID 24774715) is 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione.
What is the SMILES notation for 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione?
The canonical SMILES for 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione is O=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(Cl)c(F)c3)CC2)C(=O)N1.
What is the InChIKey of 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione?
The InChIKey is LSWCBBNEHRUABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN2O2/c24-19-7-6-16(14-20(19)25)15-27-12-9-18(10-13-27)23(17-4-2-1-3-5-17)11-8-21(28)26-22(23)29/h1-7,14,18H,8-13,15H2,(H,26,28,29).
What are the key properties of 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione?
3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione has a molecular weight of 414.91 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione is sourced from PubChem (CID 24774715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).