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

C15H21FN4O — CID 133418472

IUPACN-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
SMILESCCc1ncnc(N2CCC(NC(=O)C3CC3)CC2)c1F
InChIInChI=1S/C15H21FN4O/c1-2-12-13(16)14(18-9-17-12)20-7-5-11(6-8-20)19-15(21)10-3-4-10/h9-11H,2-8H2,1H3,(H,19,21)
InChIKeyIVKHLMLVTXMXGD-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.67
Rot. Bonds4

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

N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 133418472) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
PubChem CID133418472
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC NameN-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
SMILESCCc1ncnc(N2CCC(NC(=O)C3CC3)CC2)c1F
InChIInChI=1S/C15H21FN4O/c1-2-12-13(16)14(18-9-17-12)20-7-5-11(6-8-20)19-15(21)10-3-4-10/h9-11H,2-8H2,1H3,(H,19,21)
InChIKeyIVKHLMLVTXMXGD-UHFFFAOYSA-N
XLogP1.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.67
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-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide (CID 133418472) is N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide is CCc1ncnc(N2CCC(NC(=O)C3CC3)CC2)c1F.
What is the InChIKey of N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is IVKHLMLVTXMXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-2-12-13(16)14(18-9-17-12)20-7-5-11(6-8-20)19-15(21)10-3-4-10/h9-11H,2-8H2,1H3,(H,19,21).
What are the key properties of N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide?
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.67, 4 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-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 133418472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).