N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide

C15H21FN4O2 — CID 165432140

IUPACN-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESCOc1cc(N2CCC(F)(CNC(=O)C3CC3)CC2)ncn1
InChIInChI=1S/C15H21FN4O2/c1-22-13-8-12(18-10-19-13)20-6-4-15(16,5-7-20)9-17-14(21)11-2-3-11/h8,10-11H,2-7,9H2,1H3,(H,17,21)
InChIKeyGTSVQOQUXXHCBU-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.32
Rot. Bonds5

About N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide

N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 165432140) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
PubChem CID165432140
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC NameN-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESCOc1cc(N2CCC(F)(CNC(=O)C3CC3)CC2)ncn1
InChIInChI=1S/C15H21FN4O2/c1-22-13-8-12(18-10-19-13)20-6-4-15(16,5-7-20)9-17-14(21)11-2-3-11/h8,10-11H,2-7,9H2,1H3,(H,17,21)
InChIKeyGTSVQOQUXXHCBU-UHFFFAOYSA-N
XLogP1.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide (CID 165432140) is N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide is COc1cc(N2CCC(F)(CNC(=O)C3CC3)CC2)ncn1.
What is the InChIKey of N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is GTSVQOQUXXHCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-22-13-8-12(18-10-19-13)20-6-4-15(16,5-7-20)9-17-14(21)11-2-3-11/h8,10-11H,2-7,9H2,1H3,(H,17,21).
What are the key properties of N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 308.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 165432140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).