[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

C19H21FN4O3 — CID 55601866

IUPAC[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate
SMILESO=C(COC(=O)C1CCCCN1c1ncccn1)NCc1ccccc1F
InChIInChI=1S/C19H21FN4O3/c20-15-7-2-1-6-14(15)12-23-17(25)13-27-18(26)16-8-3-4-11-24(16)19-21-9-5-10-22-19/h1-2,5-7,9-10,16H,3-4,8,11-13H2,(H,23,25)
InChIKeyRWXIZZFQPGGZGD-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.83
Rot. Bonds6

About [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate (PubChem CID 55601866) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate
PubChem CID55601866
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate
SMILESO=C(COC(=O)C1CCCCN1c1ncccn1)NCc1ccccc1F
InChIInChI=1S/C19H21FN4O3/c20-15-7-2-1-6-14(15)12-23-17(25)13-27-18(26)16-8-3-4-11-24(16)19-21-9-5-10-22-19/h1-2,5-7,9-10,16H,3-4,8,11-13H2,(H,23,25)
InChIKeyRWXIZZFQPGGZGD-UHFFFAOYSA-N
XLogP1.83
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate?
The IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate (CID 55601866) is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate.
What is the SMILES notation for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate?
The canonical SMILES for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate is O=C(COC(=O)C1CCCCN1c1ncccn1)NCc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate?
The InChIKey is RWXIZZFQPGGZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c20-15-7-2-1-6-14(15)12-23-17(25)13-27-18(26)16-8-3-4-11-24(16)19-21-9-5-10-22-19/h1-2,5-7,9-10,16H,3-4,8,11-13H2,(H,23,25).
What are the key properties of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate?
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate has a molecular weight of 372.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate is sourced from PubChem (CID 55601866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).