N-[[1-(5-ethylpyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide

C16H23FN4O — CID 165432138

IUPACN-[[1-(5-ethylpyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESCCc1cnc(N2CCC(F)(CNC(=O)C3CC3)CC2)nc1
InChIInChI=1S/C16H23FN4O/c1-2-12-9-18-15(19-10-12)21-7-5-16(17,6-8-21)11-20-14(22)13-3-4-13/h9-10,13H,2-8,11H2,1H3,(H,20,22)
InChIKeyPXTWOWKREUMGDB-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.87
Rot. Bonds5

About N-[[1-(5-ethylpyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide

N-[[1-(5-ethylpyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 165432138) has the molecular formula C16H23FN4O and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[[1-(5-ethylpyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-(5-ethylpyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
PubChem CID165432138
Molecular FormulaC16H23FN4O
Molecular Weight306.38 g/mol
Exact Mass306.19
IUPAC NameN-[[1-(5-ethylpyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESCCc1cnc(N2CCC(F)(CNC(=O)C3CC3)CC2)nc1
InChIInChI=1S/C16H23FN4O/c1-2-12-9-18-15(19-10-12)21-7-5-16(17,6-8-21)11-20-14(22)13-3-4-13/h9-10,13H,2-8,11H2,1H3,(H,20,22)
InChIKeyPXTWOWKREUMGDB-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-ethylpyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-(5-ethylpyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide (CID 165432138) is N-[[1-(5-ethylpyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-(5-ethylpyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-(5-ethylpyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide is CCc1cnc(N2CCC(F)(CNC(=O)C3CC3)CC2)nc1.
What is the InChIKey of N-[[1-(5-ethylpyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is PXTWOWKREUMGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O/c1-2-12-9-18-15(19-10-12)21-7-5-16(17,6-8-21)11-20-14(22)13-3-4-13/h9-10,13H,2-8,11H2,1H3,(H,20,22).
What are the key properties of N-[[1-(5-ethylpyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
N-[[1-(5-ethylpyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 306.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-ethylpyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 165432138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).