N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide

C15H23FN4O — CID 91814074

IUPACN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C15H23FN4O/c1-15(2,3)13(21)17-8-11-4-6-20(7-5-11)14-18-9-12(16)10-19-14/h9-11H,4-8H2,1-3H3,(H,17,21)
InChIKeyIREYDIJEPPYSLL-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.99
Rot. Bonds3

About N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide

N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 91814074) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
PubChem CID91814074
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C15H23FN4O/c1-15(2,3)13(21)17-8-11-4-6-20(7-5-11)14-18-9-12(16)10-19-14/h9-11H,4-8H2,1-3H3,(H,17,21)
InChIKeyIREYDIJEPPYSLL-UHFFFAOYSA-N
XLogP1.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide (CID 91814074) is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is IREYDIJEPPYSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-15(2,3)13(21)17-8-11-4-6-20(7-5-11)14-18-9-12(16)10-19-14/h9-11H,4-8H2,1-3H3,(H,17,21).
What are the key properties of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 294.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 91814074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).