2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide

C16H23FN4O2 — CID 165431381

IUPAC2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(CC1CCN(c2ncc(F)cn2)CC1)NC1CCOCC1
InChIInChI=1S/C16H23FN4O2/c17-13-10-18-16(19-11-13)21-5-1-12(2-6-21)9-15(22)20-14-3-7-23-8-4-14/h10-12,14H,1-9H2,(H,20,22)
InChIKeyFSNPYXWDDRDICN-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.52
Rot. Bonds4

About 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide

2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide (PubChem CID 165431381) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
PubChem CID165431381
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(CC1CCN(c2ncc(F)cn2)CC1)NC1CCOCC1
InChIInChI=1S/C16H23FN4O2/c17-13-10-18-16(19-11-13)21-5-1-12(2-6-21)9-15(22)20-14-3-7-23-8-4-14/h10-12,14H,1-9H2,(H,20,22)
InChIKeyFSNPYXWDDRDICN-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431724
2-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431697
2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432011
N-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide
CID 165431469
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanone
CID 172891059
N-[4-[2-[1-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-4-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
CID 59252315
4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine
CID 126856400
2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432232
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 91814073
N-cyclopentyl-2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]acetamide
CID 171994846
N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 165431842
2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431902

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide (CID 165431381) is 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide is O=C(CC1CCN(c2ncc(F)cn2)CC1)NC1CCOCC1.
What is the InChIKey of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is FSNPYXWDDRDICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c17-13-10-18-16(19-11-13)21-5-1-12(2-6-21)9-15(22)20-14-3-7-23-8-4-14/h10-12,14H,1-9H2,(H,20,22).
What are the key properties of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 322.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 165431381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).