N-[(4-fluorophenyl)methyl]-3-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propanamide

C23H32FN3O4 — CID 45199736

IUPACN-[(4-fluorophenyl)methyl]-3-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propanamide
SMILESCOCCN1CC(C(=O)N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)CC1=O
InChIInChI=1S/C23H32FN3O4/c1-31-13-12-27-16-19(14-22(27)29)23(30)26-10-8-17(9-11-26)4-7-21(28)25-15-18-2-5-20(24)6-3-18/h2-3,5-6,17,19H,4,7-16H2,1H3,(H,25,28)
InChIKeyFHRHHEGJJHZRMD-UHFFFAOYSA-N
MW433.52 g/mol
LogP1.96
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-3-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propanamide

N-[(4-fluorophenyl)methyl]-3-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propanamide (PubChem CID 45199736) has the molecular formula C23H32FN3O4 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propanamide
PubChem CID45199736
Molecular FormulaC23H32FN3O4
Molecular Weight433.52 g/mol
Exact Mass433.24
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propanamide
SMILESCOCCN1CC(C(=O)N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)CC1=O
InChIInChI=1S/C23H32FN3O4/c1-31-13-12-27-16-19(14-22(27)29)23(30)26-10-8-17(9-11-26)4-7-21(28)25-15-18-2-5-20(24)6-3-18/h2-3,5-6,17,19H,4,7-16H2,1H3,(H,25,28)
InChIKeyFHRHHEGJJHZRMD-UHFFFAOYSA-N
XLogP1.96
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propanamide (CID 45199736) is N-[(4-fluorophenyl)methyl]-3-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propanamide is COCCN1CC(C(=O)N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)CC1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propanamide?
The InChIKey is FHRHHEGJJHZRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O4/c1-31-13-12-27-16-19(14-22(27)29)23(30)26-10-8-17(9-11-26)4-7-21(28)25-15-18-2-5-20(24)6-3-18/h2-3,5-6,17,19H,4,7-16H2,1H3,(H,25,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propanamide?
N-[(4-fluorophenyl)methyl]-3-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propanamide has a molecular weight of 433.52 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 45199736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).