N-[4-(difluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide

C23H20F3N3O2 — CID 139296002

IUPACN-[4-(difluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(C(F)F)cc1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H20F3N3O2/c24-16-3-6-20-19(13-16)18(7-10-27-20)14-8-11-29(12-9-14)23(31)22(30)28-17-4-1-15(2-5-17)21(25)26/h1-7,10,13-14,21H,8-9,11-12H2,(H,28,30)
InChIKeyZZZZEJJXQQRZBH-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.66
Rot. Bonds3

About N-[4-(difluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide

N-[4-(difluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 139296002) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is N-[4-(difluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-(difluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID139296002
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC NameN-[4-(difluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(C(F)F)cc1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H20F3N3O2/c24-16-3-6-20-19(13-16)18(7-10-27-20)14-8-11-29(12-9-14)23(31)22(30)28-17-4-1-15(2-5-17)21(25)26/h1-7,10,13-14,21H,8-9,11-12H2,(H,28,30)
InChIKeyZZZZEJJXQQRZBH-UHFFFAOYSA-N
XLogP4.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[4-(difluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[4-(difluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide (CID 139296002) is N-[4-(difluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[4-(difluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[4-(difluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide is O=C(Nc1ccc(C(F)F)cc1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-[4-(difluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is ZZZZEJJXQQRZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c24-16-3-6-20-19(13-16)18(7-10-27-20)14-8-11-29(12-9-14)23(31)22(30)28-17-4-1-15(2-5-17)21(25)26/h1-7,10,13-14,21H,8-9,11-12H2,(H,28,30).
What are the key properties of N-[4-(difluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
N-[4-(difluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 427.43 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 139296002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).