N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide

C16H25FN4O — CID 163357600

IUPACN-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCCc1ncnc(N2CCCC(NC(=O)C(C)(C)C)C2)c1F
InChIInChI=1S/C16H25FN4O/c1-5-12-13(17)14(19-10-18-12)21-8-6-7-11(9-21)20-15(22)16(2,3)4/h10-11H,5-9H2,1-4H3,(H,20,22)
InChIKeyJQQFFYXQPAJALA-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.31
Rot. Bonds3

About N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide

N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 163357600) has the molecular formula C16H25FN4O and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID163357600
Molecular FormulaC16H25FN4O
Molecular Weight308.40 g/mol
Exact Mass308.20
IUPAC NameN-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCCc1ncnc(N2CCCC(NC(=O)C(C)(C)C)C2)c1F
InChIInChI=1S/C16H25FN4O/c1-5-12-13(17)14(19-10-18-12)21-8-6-7-11(9-21)20-15(22)16(2,3)4/h10-11H,5-9H2,1-4H3,(H,20,22)
InChIKeyJQQFFYXQPAJALA-UHFFFAOYSA-N
XLogP2.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide (CID 163357600) is N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide is CCc1ncnc(N2CCCC(NC(=O)C(C)(C)C)C2)c1F.
What is the InChIKey of N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is JQQFFYXQPAJALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4O/c1-5-12-13(17)14(19-10-18-12)21-8-6-7-11(9-21)20-15(22)16(2,3)4/h10-11H,5-9H2,1-4H3,(H,20,22).
What are the key properties of N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide?
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 308.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 163357600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).