(4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one

C19H28FN3O — CID 25292865

IUPAC(4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
SMILESCCN1CCC(N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C19H28FN3O/c1-2-22-10-8-17(9-11-22)21-18-13-19(24)23(14-18)12-7-15-3-5-16(20)6-4-15/h3-6,17-18,21H,2,7-14H2,1H3/t18-/m0/s1
InChIKeyLKPGZTVCQDENPX-SFHVURJKSA-N
MW333.45 g/mol
LogP2.04
Rot. Bonds6

About (4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one

(4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one (PubChem CID 25292865) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is (4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
PubChem CID25292865
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name(4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
SMILESCCN1CCC(N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C19H28FN3O/c1-2-22-10-8-17(9-11-22)21-18-13-19(24)23(14-18)12-7-15-3-5-16(20)6-4-15/h3-6,17-18,21H,2,7-14H2,1H3/t18-/m0/s1
InChIKeyLKPGZTVCQDENPX-SFHVURJKSA-N
XLogP2.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

BN-201
CID 66610682
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009
Cyclohexanecarboxylic acid ((S)-1-phenethyl-pyrrolidin-2-ylmethyl)-amide
CID 10087023
(5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one
CID 23646442
(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one
CID 23646443
1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45210433
(1S,2S)-1-[4-(4-fluorophenyl)phenyl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-(methylcarbamoyl)-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate
CID 91895757
(1S,2S)-1-(ethylcarbamoyl)-1-[4-(4-fluorophenyl)phenyl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate
CID 91895759
(1S,2S)-1-[4-(4-fluorophenyl)phenyl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-1-(propan-2-ylcarbamoyl)propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895760
(1S,2S)-1-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl)phenyl]-3-oxo-3-(pyrrolidin-1-yl)propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895773
(2S,3S)-3-(4-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895801
2-(S)-Amino-4-phenethylamino-1-piperidin-1-yl-butan-1-one
CID 11437726

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one (CID 25292865) is (4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one is CCN1CCC(N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1.
What is the InChIKey of (4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The InChIKey is LKPGZTVCQDENPX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-2-22-10-8-17(9-11-22)21-18-13-19(24)23(14-18)12-7-15-3-5-16(20)6-4-15/h3-6,17-18,21H,2,7-14H2,1H3/t18-/m0/s1.
What are the key properties of (4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
(4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one has a molecular weight of 333.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 25292865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).