N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]cyclopropanecarboxamide

C16H23FN4O — CID 131903958

IUPACN-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]cyclopropanecarboxamide
SMILESCCc1ncnc(N2CCCC(CNC(=O)C3CC3)C2)c1F
InChIInChI=1S/C16H23FN4O/c1-2-13-14(17)15(20-10-19-13)21-7-3-4-11(9-21)8-18-16(22)12-5-6-12/h10-12H,2-9H2,1H3,(H,18,22)
InChIKeyXAPGLEVJZTXWRY-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.92
Rot. Bonds5

About N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]cyclopropanecarboxamide

N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 131903958) has the molecular formula C16H23FN4O and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]cyclopropanecarboxamide
PubChem CID131903958
Molecular FormulaC16H23FN4O
Molecular Weight306.38 g/mol
Exact Mass306.19
IUPAC NameN-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]cyclopropanecarboxamide
SMILESCCc1ncnc(N2CCCC(CNC(=O)C3CC3)C2)c1F
InChIInChI=1S/C16H23FN4O/c1-2-13-14(17)15(20-10-19-13)21-7-3-4-11(9-21)8-18-16(22)12-5-6-12/h10-12H,2-9H2,1H3,(H,18,22)
InChIKeyXAPGLEVJZTXWRY-UHFFFAOYSA-N
XLogP1.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.92
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]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]cyclopropanecarboxamide (CID 131903958) is N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]cyclopropanecarboxamide is CCc1ncnc(N2CCCC(CNC(=O)C3CC3)C2)c1F.
What is the InChIKey of N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is XAPGLEVJZTXWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O/c1-2-13-14(17)15(20-10-19-13)21-7-3-4-11(9-21)8-18-16(22)12-5-6-12/h10-12H,2-9H2,1H3,(H,18,22).
What are the key properties of N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]cyclopropanecarboxamide?
N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 306.38 g/mol, XLogP of 1.92, 5 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]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 131903958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).