4-[(2-fluorophenyl)methyl]-1-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide

C19H26FN3O2 — CID 110111295

IUPAC4-[(2-fluorophenyl)methyl]-1-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide
SMILESCN1CCC(Cc2ccccc2F)(C(=O)NC2CCCNC2=O)CC1
InChIInChI=1S/C19H26FN3O2/c1-23-11-8-19(9-12-23,13-14-5-2-3-6-15(14)20)18(25)22-16-7-4-10-21-17(16)24/h2-3,5-6,16H,4,7-13H2,1H3,(H,21,24)(H,22,25)
InChIKeyOHQIDQDREOWQSU-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.48
Rot. Bonds4

About 4-[(2-fluorophenyl)methyl]-1-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide

4-[(2-fluorophenyl)methyl]-1-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide (PubChem CID 110111295) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-1-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-1-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide
PubChem CID110111295
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name4-[(2-fluorophenyl)methyl]-1-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide
SMILESCN1CCC(Cc2ccccc2F)(C(=O)NC2CCCNC2=O)CC1
InChIInChI=1S/C19H26FN3O2/c1-23-11-8-19(9-12-23,13-14-5-2-3-6-15(14)20)18(25)22-16-7-4-10-21-17(16)24/h2-3,5-6,16H,4,7-13H2,1H3,(H,21,24)(H,22,25)
InChIKeyOHQIDQDREOWQSU-UHFFFAOYSA-N
XLogP1.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-1-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-1-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide (CID 110111295) is 4-[(2-fluorophenyl)methyl]-1-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-1-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-1-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide is CN1CCC(Cc2ccccc2F)(C(=O)NC2CCCNC2=O)CC1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-1-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide?
The InChIKey is OHQIDQDREOWQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-23-11-8-19(9-12-23,13-14-5-2-3-6-15(14)20)18(25)22-16-7-4-10-21-17(16)24/h2-3,5-6,16H,4,7-13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 4-[(2-fluorophenyl)methyl]-1-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide?
4-[(2-fluorophenyl)methyl]-1-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-1-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 110111295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).