4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one

C23H24F2N2O4 — CID 112836587

IUPAC4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCC(Oc4ccc(F)cc4F)CC3)CC2=O)cc1
InChIInChI=1S/C23H24F2N2O4/c1-30-18-5-3-17(4-6-18)27-14-15(12-22(27)28)23(29)26-10-8-19(9-11-26)31-21-7-2-16(24)13-20(21)25/h2-7,13,15,19H,8-12,14H2,1H3
InChIKeyVRJTXUISLJXANF-UHFFFAOYSA-N
MW430.45 g/mol
LogP3.40
Rot. Bonds5

About 4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one

4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 112836587) has the molecular formula C23H24F2N2O4 and a molecular weight of 430.45 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
PubChem CID112836587
Molecular FormulaC23H24F2N2O4
Molecular Weight430.45 g/mol
Exact Mass430.17
IUPAC Name4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCC(Oc4ccc(F)cc4F)CC3)CC2=O)cc1
InChIInChI=1S/C23H24F2N2O4/c1-30-18-5-3-17(4-6-18)27-14-15(12-22(27)28)23(29)26-10-8-19(9-11-26)31-21-7-2-16(24)13-20(21)25/h2-7,13,15,19H,8-12,14H2,1H3
InChIKeyVRJTXUISLJXANF-UHFFFAOYSA-N
XLogP3.40
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 112836375
1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 90558754
(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40822839
1-(4-methoxyphenyl)-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90566419
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317
1-(4-methoxyphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119563790
(4S)-1-(4-methoxyphenyl)-4-[4-(3-methylbut-2-enoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29134485
1-(4-methoxyphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42650428
N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 60598671
N-(2,4-dimethoxyphenyl)-1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964094
4-[4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 75392272
1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 9388657

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one (CID 112836587) is 4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CCC(Oc4ccc(F)cc4F)CC3)CC2=O)cc1.
What is the InChIKey of 4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is VRJTXUISLJXANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O4/c1-30-18-5-3-17(4-6-18)27-14-15(12-22(27)28)23(29)26-10-8-19(9-11-26)31-21-7-2-16(24)13-20(21)25/h2-7,13,15,19H,8-12,14H2,1H3.
What are the key properties of 4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 430.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 112836587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).