1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide

C18H23FN4O3 — CID 24794344

IUPAC1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCN1CCNC1=O)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C18H23FN4O3/c19-15-4-2-1-3-13(15)11-23-12-14(5-6-16(23)24)17(25)20-7-9-22-10-8-21-18(22)26/h1-4,14H,5-12H2,(H,20,25)(H,21,26)
InChIKeyCPFMAELRQACSAN-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.71
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 24794344) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID24794344
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCN1CCNC1=O)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C18H23FN4O3/c19-15-4-2-1-3-13(15)11-23-12-14(5-6-16(23)24)17(25)20-7-9-22-10-8-21-18(22)26/h1-4,14H,5-12H2,(H,20,25)(H,21,26)
InChIKeyCPFMAELRQACSAN-UHFFFAOYSA-N
XLogP0.71
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide (CID 24794344) is 1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide is O=C(NCCN1CCNC1=O)C1CCC(=O)N(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is CPFMAELRQACSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c19-15-4-2-1-3-13(15)11-23-12-14(5-6-16(23)24)17(25)20-7-9-22-10-8-21-18(22)26/h1-4,14H,5-12H2,(H,20,25)(H,21,26).
What are the key properties of 1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 24794344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).