1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopiperidine-3-carboxamide

C17H20FN3O3 — CID 21071195

IUPAC1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopiperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(N3CCCCC3=O)cc2F)C1=O
InChIInChI=1S/C17H20FN3O3/c18-13-10-11(20-8-2-1-5-15(20)22)6-7-14(13)21-9-3-4-12(16(19)23)17(21)24/h6-7,10,12H,1-5,8-9H2,(H2,19,23)
InChIKeyYLGUVPQWTFOWQD-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.57
Rot. Bonds3

About 1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopiperidine-3-carboxamide

1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopiperidine-3-carboxamide (PubChem CID 21071195) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopiperidine-3-carboxamide
PubChem CID21071195
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopiperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(N3CCCCC3=O)cc2F)C1=O
InChIInChI=1S/C17H20FN3O3/c18-13-10-11(20-8-2-1-5-15(20)22)6-7-14(13)21-9-3-4-12(16(19)23)17(21)24/h6-7,10,12H,1-5,8-9H2,(H2,19,23)
InChIKeyYLGUVPQWTFOWQD-UHFFFAOYSA-N
XLogP1.57
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopiperidine-3-carboxamide (CID 21071195) is 1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopiperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(N3CCCCC3=O)cc2F)C1=O.
What is the InChIKey of 1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopiperidine-3-carboxamide?
The InChIKey is YLGUVPQWTFOWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c18-13-10-11(20-8-2-1-5-15(20)22)6-7-14(13)21-9-3-4-12(16(19)23)17(21)24/h6-7,10,12H,1-5,8-9H2,(H2,19,23).
What are the key properties of 1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopiperidine-3-carboxamide?
1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopiperidine-3-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 21071195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).