N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide

C19H26FN3O2 — CID 25449003

IUPACN-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H26FN3O2/c20-16-6-4-15(5-7-16)8-11-23-13-17(12-19(23)25)21-18(24)14-22-9-2-1-3-10-22/h4-7,17H,1-3,8-14H2,(H,21,24)/t17-/m1/s1
InChIKeyNNAOBBHSNGQICO-QGZVFWFLSA-N
MW347.43 g/mol
LogP1.57
Rot. Bonds6

About N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide

N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide (PubChem CID 25449003) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide
PubChem CID25449003
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H26FN3O2/c20-16-6-4-15(5-7-16)8-11-23-13-17(12-19(23)25)21-18(24)14-22-9-2-1-3-10-22/h4-7,17H,1-3,8-14H2,(H,21,24)/t17-/m1/s1
InChIKeyNNAOBBHSNGQICO-QGZVFWFLSA-N
XLogP1.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 98771605
2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598
2-acetamido-N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 26334712
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 45181468
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 26397202
N-cyclopentyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497409
1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide
CID 42212899
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide
CID 95720923
1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 6497413
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 42519689
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 56906685
(4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 25292865

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide (CID 25449003) is N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide?
The InChIKey is NNAOBBHSNGQICO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-16-6-4-15(5-7-16)8-11-23-13-17(12-19(23)25)21-18(24)14-22-9-2-1-3-10-22/h4-7,17H,1-3,8-14H2,(H,21,24)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide?
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide has a molecular weight of 347.43 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 25449003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).