1-(3,4-difluorophenyl)-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione

C19H17F2NO2 — CID 53383768

IUPAC1-(3,4-difluorophenyl)-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCC(c2ccccc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H17F2NO2/c20-16-7-6-15(12-17(16)21)18(23)19(24)22-10-8-14(9-11-22)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2
InChIKeyDUPTVXZZGWWZEE-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.55
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione

1-(3,4-difluorophenyl)-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione (PubChem CID 53383768) has the molecular formula C19H17F2NO2 and a molecular weight of 329.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione
PubChem CID53383768
Molecular FormulaC19H17F2NO2
Molecular Weight329.35 g/mol
Exact Mass329.12
IUPAC Name1-(3,4-difluorophenyl)-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCC(c2ccccc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H17F2NO2/c20-16-7-6-15(12-17(16)21)18(23)19(24)22-10-8-14(9-11-22)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2
InChIKeyDUPTVXZZGWWZEE-UHFFFAOYSA-N
XLogP3.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione (CID 53383768) is 1-(3,4-difluorophenyl)-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione is O=C(C(=O)N1CCC(c2ccccc2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione?
The InChIKey is DUPTVXZZGWWZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO2/c20-16-7-6-15(12-17(16)21)18(23)19(24)22-10-8-14(9-11-22)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione?
1-(3,4-difluorophenyl)-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione has a molecular weight of 329.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 53383768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).