N-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C23H26FN3O2 — CID 113189954

IUPACN-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCN(c2ccc(N3CC(C(=O)Nc4ccccc4F)CC3=O)cc2)CC1
InChIInChI=1S/C23H26FN3O2/c1-16-10-12-26(13-11-16)18-6-8-19(9-7-18)27-15-17(14-22(27)28)23(29)25-21-5-3-2-4-20(21)24/h2-9,16-17H,10-15H2,1H3,(H,25,29)
InChIKeyRSMOMBRAOGLWSK-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.05
Rot. Bonds4

About N-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

N-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113189954) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113189954
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCN(c2ccc(N3CC(C(=O)Nc4ccccc4F)CC3=O)cc2)CC1
InChIInChI=1S/C23H26FN3O2/c1-16-10-12-26(13-11-16)18-6-8-19(9-7-18)27-15-17(14-22(27)28)23(29)25-21-5-3-2-4-20(21)24/h2-9,16-17H,10-15H2,1H3,(H,25,29)
InChIKeyRSMOMBRAOGLWSK-UHFFFAOYSA-N
XLogP4.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2585689
(3S)-1-(4-ethoxyphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6549615
N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108803681
1-(4-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 44828263
1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 39453796
N-(2-methoxyphenyl)-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189902
(3S)-1-(4-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 679855
4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one
CID 113189924
1-(4-methylphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 56559166
1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 113189916
N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189917
N-(2-chlorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3122127

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 113189954) is N-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is CC1CCN(c2ccc(N3CC(C(=O)Nc4ccccc4F)CC3=O)cc2)CC1.
What is the InChIKey of N-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RSMOMBRAOGLWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-16-10-12-26(13-11-16)18-6-8-19(9-7-18)27-15-17(14-22(27)28)23(29)25-21-5-3-2-4-20(21)24/h2-9,16-17H,10-15H2,1H3,(H,25,29).
What are the key properties of N-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
N-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113189954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).