(5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one

C24H36FN3O — CID 26354045

IUPAC(5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](CCNCc2ccccc2F)N1CC1(N2CCCCC2)CCCC1
InChIInChI=1S/C24H36FN3O/c25-22-9-3-2-8-20(22)18-26-15-12-21-10-11-23(29)28(21)19-24(13-4-5-14-24)27-16-6-1-7-17-27/h2-3,8-9,21,26H,1,4-7,10-19H2/t21-/m0/s1
InChIKeyGEDZGYUAGOTQDZ-NRFANRHFSA-N
MW401.57 g/mol
LogP4.10
Rot. Bonds8

About (5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one

(5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one (PubChem CID 26354045) has the molecular formula C24H36FN3O and a molecular weight of 401.57 g/mol. Its IUPAC name is (5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one
PubChem CID26354045
Molecular FormulaC24H36FN3O
Molecular Weight401.57 g/mol
Exact Mass401.28
IUPAC Name(5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](CCNCc2ccccc2F)N1CC1(N2CCCCC2)CCCC1
InChIInChI=1S/C24H36FN3O/c25-22-9-3-2-8-20(22)18-26-15-12-21-10-11-23(29)28(21)19-24(13-4-5-14-24)27-16-6-1-7-17-27/h2-3,8-9,21,26H,1,4-7,10-19H2/t21-/m0/s1
InChIKeyGEDZGYUAGOTQDZ-NRFANRHFSA-N
XLogP4.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.57
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(1-morpholin-4-ylcycloheptyl)methyl]pyrrolidin-2-one
CID 45188696
1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45174372
(5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyrrolidin-2-one
CID 42383163
(5R)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyrrolidin-2-one
CID 42383166
(5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 42377292
1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45195483
(5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 42452055
(5R)-5-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one
CID 26321183
(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 42235949
(5R)-1-[(4-phenyloxan-4-yl)methyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one
CID 42329892
(5S)-1-[(2,5-difluorophenyl)methyl]-5-[2-[(4-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 42239593
(5S)-5-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]-1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one
CID 42371726

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one (CID 26354045) is (5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one is O=C1CC[C@@H](CCNCc2ccccc2F)N1CC1(N2CCCCC2)CCCC1.
What is the InChIKey of (5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one?
The InChIKey is GEDZGYUAGOTQDZ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H36FN3O/c25-22-9-3-2-8-20(22)18-26-15-12-21-10-11-23(29)28(21)19-24(13-4-5-14-24)27-16-6-1-7-17-27/h2-3,8-9,21,26H,1,4-7,10-19H2/t21-/m0/s1.
What are the key properties of (5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one?
(5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one has a molecular weight of 401.57 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 26354045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).