(2R,4R)-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide

C17H22FN3O3 — CID 11416392

IUPAC(2R,4R)-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1CN[C@@H](C(=O)Nc2ccc(N3CCCCC3=O)cc2F)C1
InChIInChI=1S/C17H22FN3O3/c1-24-12-9-15(19-10-12)17(23)20-14-6-5-11(8-13(14)18)21-7-3-2-4-16(21)22/h5-6,8,12,15,19H,2-4,7,9-10H2,1H3,(H,20,23)/t12-,15-/m1/s1
InChIKeyDTXUXTISZVZLOB-IUODEOHRSA-N
MW335.38 g/mol
LogP1.66
Rot. Bonds4

About (2R,4R)-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide

(2R,4R)-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 11416392) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is (2R,4R)-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID11416392
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name(2R,4R)-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1CN[C@@H](C(=O)Nc2ccc(N3CCCCC3=O)cc2F)C1
InChIInChI=1S/C17H22FN3O3/c1-24-12-9-15(19-10-12)17(23)20-14-6-5-11(8-13(14)18)21-7-3-2-4-16(21)22/h5-6,8,12,15,19H,2-4,7,9-10H2,1H3,(H,20,23)/t12-,15-/m1/s1
InChIKeyDTXUXTISZVZLOB-IUODEOHRSA-N
XLogP1.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 441401
rac-Linezolid
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(2S)-1-[6-[4-(4-fluorophenyl)piperazin-1-yl]hexanoyl]pyrrolidine-2-carboxamide
CID 90654700
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CID 2878726
5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437786
1-(4-Fluorophenyl)-3-{[4-(morpholin-4-yl)phenyl]amino}pyrrolidine-2,5-dione
CID 600910
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CID 654030
1-Isopropyl-3-((4-morpholinophenyl)amino)pyrrolidine-2,5-dione
CID 2948245
3-[2-[3-(3,4-Difluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide (CID 11416392) is (2R,4R)-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide is CO[C@H]1CN[C@@H](C(=O)Nc2ccc(N3CCCCC3=O)cc2F)C1.
What is the InChIKey of (2R,4R)-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is DTXUXTISZVZLOB-IUODEOHRSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-24-12-9-15(19-10-12)17(23)20-14-6-5-11(8-13(14)18)21-7-3-2-4-16(21)22/h5-6,8,12,15,19H,2-4,7,9-10H2,1H3,(H,20,23)/t12-,15-/m1/s1.
What are the key properties of (2R,4R)-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide?
(2R,4R)-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 11416392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).