1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide

C19H21FN4O2 — CID 122262943

IUPAC1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2cc(-c3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C19H21FN4O2/c1-13(25)24-8-6-15(7-9-24)19(26)21-11-17-10-18(23-12-22-17)14-2-4-16(20)5-3-14/h2-5,10,12,15H,6-9,11H2,1H3,(H,21,26)
InChIKeyCFURXLHYNICFES-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.16
Rot. Bonds4

About 1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide

1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 122262943) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide
PubChem CID122262943
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2cc(-c3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C19H21FN4O2/c1-13(25)24-8-6-15(7-9-24)19(26)21-11-17-10-18(23-12-22-17)14-2-4-16(20)5-3-14/h2-5,10,12,15H,6-9,11H2,1H3,(H,21,26)
InChIKeyCFURXLHYNICFES-UHFFFAOYSA-N
XLogP2.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide
CID 122261947
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide
CID 122262814
N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide
CID 122261740
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide
CID 53005508
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]cyclohexanecarboxamide
CID 122262450
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 122263042
1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 122263020
1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 110793478
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-hexylpiperidine-4-carboxamide
CID 53005503
1-(3-bromophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 122262938
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 122262568
N-(3-ethoxypropyl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53005507

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide (CID 122262943) is 1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCc2cc(-c3ccc(F)cc3)ncn2)CC1.
What is the InChIKey of 1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide?
The InChIKey is CFURXLHYNICFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-13(25)24-8-6-15(7-9-24)19(26)21-11-17-10-18(23-12-22-17)14-2-4-16(20)5-3-14/h2-5,10,12,15H,6-9,11H2,1H3,(H,21,26).
What are the key properties of 1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide?
1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 122262943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).