(3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

C19H26FN3O3 — CID 52536465

IUPAC(3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(F)c1
InChIInChI=1S/C19H26FN3O3/c1-14(15-3-2-4-17(20)11-15)21-19(25)16-12-18(24)23(13-16)6-5-22-7-9-26-10-8-22/h2-4,11,14,16H,5-10,12-13H2,1H3,(H,21,25)/t14-,16-/m0/s1
InChIKeyOBJALYYIYTVMGL-HOCLYGCPSA-N
MW363.43 g/mol
LogP1.18
Rot. Bonds6

About (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 52536465) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID52536465
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name(3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(F)c1
InChIInChI=1S/C19H26FN3O3/c1-14(15-3-2-4-17(20)11-15)21-19(25)16-12-18(24)23(13-16)6-5-22-7-9-26-10-8-22/h2-4,11,14,16H,5-10,12-13H2,1H3,(H,21,25)/t14-,16-/m0/s1
InChIKeyOBJALYYIYTVMGL-HOCLYGCPSA-N
XLogP1.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 95046533
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182995
(2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119361761
1-(3-methylbutyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113185589
N-(2-amino-2-phenylethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 119529290
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119508727
(3S)-1-(2,5-dimethoxyphenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 51935329
1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 42907119
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
(3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 95019921
N-(2,5-dimethylphenyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182982

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (CID 52536465) is (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is C[C@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(F)c1.
What is the InChIKey of (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OBJALYYIYTVMGL-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-14(15-3-2-4-17(20)11-15)21-19(25)16-12-18(24)23(13-16)6-5-22-7-9-26-10-8-22/h2-4,11,14,16H,5-10,12-13H2,1H3,(H,21,25)/t14-,16-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 52536465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).