N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]oxane-4-carboxamide

C16H23FN4O2 — CID 126854568

IUPACN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]oxane-4-carboxamide
SMILESO=C(NCC1CCN(c2ncc(F)cn2)CC1)C1CCOCC1
InChIInChI=1S/C16H23FN4O2/c17-14-10-19-16(20-11-14)21-5-1-12(2-6-21)9-18-15(22)13-3-7-23-8-4-13/h10-13H,1-9H2,(H,18,22)
InChIKeyLUKUNDTVELNXPY-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.37
Rot. Bonds4

About N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]oxane-4-carboxamide

N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]oxane-4-carboxamide (PubChem CID 126854568) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]oxane-4-carboxamide
PubChem CID126854568
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]oxane-4-carboxamide
SMILESO=C(NCC1CCN(c2ncc(F)cn2)CC1)C1CCOCC1
InChIInChI=1S/C16H23FN4O2/c17-14-10-19-16(20-11-14)21-5-1-12(2-6-21)9-18-15(22)13-3-7-23-8-4-13/h10-13H,1-9H2,(H,18,22)
InChIKeyLUKUNDTVELNXPY-UHFFFAOYSA-N
XLogP1.37
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]oxane-4-carboxamide (CID 126854568) is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]oxane-4-carboxamide is O=C(NCC1CCN(c2ncc(F)cn2)CC1)C1CCOCC1.
What is the InChIKey of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]oxane-4-carboxamide?
The InChIKey is LUKUNDTVELNXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c17-14-10-19-16(20-11-14)21-5-1-12(2-6-21)9-18-15(22)13-3-7-23-8-4-13/h10-13H,1-9H2,(H,18,22).
What are the key properties of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]oxane-4-carboxamide?
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]oxane-4-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 126854568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).