N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide

C16H23FN4O3 — CID 165432333

IUPACN-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCOc1cc(N2CCC(F)(CNC(=O)C3CCOC3)CC2)ncn1
InChIInChI=1S/C16H23FN4O3/c1-23-14-8-13(19-11-20-14)21-5-3-16(17,4-6-21)10-18-15(22)12-2-7-24-9-12/h8,11-12H,2-7,9-10H2,1H3,(H,18,22)
InChIKeyJLPBHHMQZDSBFT-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.95
Rot. Bonds5

About N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide

N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 165432333) has the molecular formula C16H23FN4O3 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID165432333
Molecular FormulaC16H23FN4O3
Molecular Weight338.38 g/mol
Exact Mass338.18
IUPAC NameN-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCOc1cc(N2CCC(F)(CNC(=O)C3CCOC3)CC2)ncn1
InChIInChI=1S/C16H23FN4O3/c1-23-14-8-13(19-11-20-14)21-5-3-16(17,4-6-21)10-18-15(22)12-2-7-24-9-12/h8,11-12H,2-7,9-10H2,1H3,(H,18,22)
InChIKeyJLPBHHMQZDSBFT-UHFFFAOYSA-N
XLogP0.95
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]oxolane-3-carboxamide?
The IUPAC name of N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide (CID 165432333) is N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide is COc1cc(N2CCC(F)(CNC(=O)C3CCOC3)CC2)ncn1.
What is the InChIKey of N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is JLPBHHMQZDSBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O3/c1-23-14-8-13(19-11-20-14)21-5-3-16(17,4-6-21)10-18-15(22)12-2-7-24-9-12/h8,11-12H,2-7,9-10H2,1H3,(H,18,22).
What are the key properties of N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide?
N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 165432333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).