N-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide

C20H28FN3O3 — CID 46956862

IUPACN-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
SMILESCOCC(=O)N1CCC(C2CC(C(=O)Nc3ccc(F)cc3)CN2C)CC1
InChIInChI=1S/C20H28FN3O3/c1-23-12-15(20(26)22-17-5-3-16(21)4-6-17)11-18(23)14-7-9-24(10-8-14)19(25)13-27-2/h3-6,14-15,18H,7-13H2,1-2H3,(H,22,26)
InChIKeyWGVWJEYUKDHUDG-UHFFFAOYSA-N
MW377.46 g/mol
LogP1.97
Rot. Bonds5

About N-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide

N-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide (PubChem CID 46956862) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
PubChem CID46956862
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC NameN-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
SMILESCOCC(=O)N1CCC(C2CC(C(=O)Nc3ccc(F)cc3)CN2C)CC1
InChIInChI=1S/C20H28FN3O3/c1-23-12-15(20(26)22-17-5-3-16(21)4-6-17)11-18(23)14-7-9-24(10-8-14)19(25)13-27-2/h3-6,14-15,18H,7-13H2,1-2H3,(H,22,26)
InChIKeyWGVWJEYUKDHUDG-UHFFFAOYSA-N
XLogP1.97
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide (CID 46956862) is N-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide is COCC(=O)N1CCC(C2CC(C(=O)Nc3ccc(F)cc3)CN2C)CC1.
What is the InChIKey of N-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide?
The InChIKey is WGVWJEYUKDHUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-23-12-15(20(26)22-17-5-3-16(21)4-6-17)11-18(23)14-7-9-24(10-8-14)19(25)13-27-2/h3-6,14-15,18H,7-13H2,1-2H3,(H,22,26).
What are the key properties of N-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide?
N-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46956862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).