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

C18H24FN3O2 — CID 46172041

IUPAC1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN1CCC(NC(=O)C2CC(=O)N(Cc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C18H24FN3O2/c1-21-8-6-16(7-9-21)20-18(24)14-10-17(23)22(12-14)11-13-2-4-15(19)5-3-13/h2-5,14,16H,6-12H2,1H3,(H,20,24)
InChIKeyCJAYIAHYJKTEPE-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.38
Rot. Bonds4

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

1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46172041) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46172041
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN1CCC(NC(=O)C2CC(=O)N(Cc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C18H24FN3O2/c1-21-8-6-16(7-9-21)20-18(24)14-10-17(23)22(12-14)11-13-2-4-15(19)5-3-13/h2-5,14,16H,6-12H2,1H3,(H,20,24)
InChIKeyCJAYIAHYJKTEPE-UHFFFAOYSA-N
XLogP1.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 46172041) is 1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is CN1CCC(NC(=O)C2CC(=O)N(Cc3ccc(F)cc3)C2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CJAYIAHYJKTEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-21-8-6-16(7-9-21)20-18(24)14-10-17(23)22(12-14)11-13-2-4-15(19)5-3-13/h2-5,14,16H,6-12H2,1H3,(H,20,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46172041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).