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

C25H30FN3O3 — CID 46956842

IUPACN-(4-fluorophenyl)-5-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(C2CC(C(=O)Nc3ccc(F)cc3)CN2C)CC1
InChIInChI=1S/C25H30FN3O3/c1-28-16-18(24(30)27-20-9-7-19(26)8-10-20)15-22(28)17-11-13-29(14-12-17)25(31)21-5-3-4-6-23(21)32-2/h3-10,17-18,22H,11-16H2,1-2H3,(H,27,30)
InChIKeyQBFQERIOPRLFFW-UHFFFAOYSA-N
MW439.53 g/mol
LogP3.65
Rot. Bonds5

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

N-(4-fluorophenyl)-5-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide (PubChem CID 46956842) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
PubChem CID46956842
Molecular FormulaC25H30FN3O3
Molecular Weight439.53 g/mol
Exact Mass439.23
IUPAC NameN-(4-fluorophenyl)-5-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(C2CC(C(=O)Nc3ccc(F)cc3)CN2C)CC1
InChIInChI=1S/C25H30FN3O3/c1-28-16-18(24(30)27-20-9-7-19(26)8-10-20)15-22(28)17-11-13-29(14-12-17)25(31)21-5-3-4-6-23(21)32-2/h3-10,17-18,22H,11-16H2,1-2H3,(H,27,30)
InChIKeyQBFQERIOPRLFFW-UHFFFAOYSA-N
XLogP3.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5R)-N-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
CID 92607838
N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956843
(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 93240243
(3S,5S)-5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 124817134
(3R,5R)-N-(4-fluorophenyl)-5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
CID 92607866
(3R,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 124819853
N-(4-fluorophenyl)-1-methyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956837
1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119945231
(3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 92565446
N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956838
(3R,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 92565447
(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 93240238

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide (CID 46956842) is N-(4-fluorophenyl)-5-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide is COc1ccccc1C(=O)N1CCC(C2CC(C(=O)Nc3ccc(F)cc3)CN2C)CC1.
What is the InChIKey of N-(4-fluorophenyl)-5-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide?
The InChIKey is QBFQERIOPRLFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3/c1-28-16-18(24(30)27-20-9-7-19(26)8-10-20)15-22(28)17-11-13-29(14-12-17)25(31)21-5-3-4-6-23(21)32-2/h3-10,17-18,22H,11-16H2,1-2H3,(H,27,30).
What are the key properties of N-(4-fluorophenyl)-5-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide?
N-(4-fluorophenyl)-5-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide has a molecular weight of 439.53 g/mol, XLogP of 3.65, 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-methoxybenzoyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46956842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).