N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide

C16H25FN4O2 — CID 165431797

IUPACN-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCn1cnc(N2CCC(F)(CNC(=O)C(C)(C)C)CC2)cc1=O
InChIInChI=1S/C16H25FN4O2/c1-15(2,3)14(23)18-10-16(17)5-7-21(8-6-16)12-9-13(22)20(4)11-19-12/h9,11H,5-8,10H2,1-4H3,(H,18,23)
InChIKeySUFPPQIIJMNXCK-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.25
Rot. Bonds3

About N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide

N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 165431797) has the molecular formula C16H25FN4O2 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
PubChem CID165431797
Molecular FormulaC16H25FN4O2
Molecular Weight324.40 g/mol
Exact Mass324.20
IUPAC NameN-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCn1cnc(N2CCC(F)(CNC(=O)C(C)(C)C)CC2)cc1=O
InChIInChI=1S/C16H25FN4O2/c1-15(2,3)14(23)18-10-16(17)5-7-21(8-6-16)12-9-13(22)20(4)11-19-12/h9,11H,5-8,10H2,1-4H3,(H,18,23)
InChIKeySUFPPQIIJMNXCK-UHFFFAOYSA-N
XLogP1.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide (CID 165431797) is N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide is Cn1cnc(N2CCC(F)(CNC(=O)C(C)(C)C)CC2)cc1=O.
What is the InChIKey of N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is SUFPPQIIJMNXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4O2/c1-15(2,3)14(23)18-10-16(17)5-7-21(8-6-16)12-9-13(22)20(4)11-19-12/h9,11H,5-8,10H2,1-4H3,(H,18,23).
What are the key properties of N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 324.40 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 165431797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).