1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C17H22FN3O2 — CID 26321736

IUPAC1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCC[C@@H](Nc2cccc(F)c2)C1
InChIInChI=1S/C17H22FN3O2/c18-13-4-1-5-14(10-13)19-15-6-2-8-20(11-15)17(23)12-21-9-3-7-16(21)22/h1,4-5,10,15,19H,2-3,6-9,11-12H2/t15-/m1/s1
InChIKeyIYTGPOBNGZHCBY-OAHLLOKOSA-N
MW319.38 g/mol
LogP1.85
Rot. Bonds4

About 1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 26321736) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID26321736
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCC[C@@H](Nc2cccc(F)c2)C1
InChIInChI=1S/C17H22FN3O2/c18-13-4-1-5-14(10-13)19-15-6-2-8-20(11-15)17(23)12-21-9-3-7-16(21)22/h1,4-5,10,15,19H,2-3,6-9,11-12H2/t15-/m1/s1
InChIKeyIYTGPOBNGZHCBY-OAHLLOKOSA-N
XLogP1.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone
CID 25370122
1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one
CID 95713603
1-[2-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 26327850
N-(3-fluorophenyl)-2-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 9225293
1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 70712117
N-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide
CID 45195638
1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
CID 24816937
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
2-chloro-1-[(3S)-3-[3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 146567789
1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 25447576
1-[3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 45222417
[3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone
CID 24791859

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 26321736) is 1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CCC[C@@H](Nc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is IYTGPOBNGZHCBY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-13-4-1-5-14(10-13)19-15-6-2-8-20(11-15)17(23)12-21-9-3-7-16(21)22/h1,4-5,10,15,19H,2-3,6-9,11-12H2/t15-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 319.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 26321736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).