[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone

C20H24FN3O2 — CID 70706189

IUPAC[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
SMILESCc1nc(C(C)C)ncc1C(=O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C20H24FN3O2/c1-13(2)19-22-12-18(14(3)23-19)20(25)24-9-7-16(8-10-24)26-17-6-4-5-15(21)11-17/h4-6,11-13,16H,7-10H2,1-3H3
InChIKeyJHPGCSMXRNOSAT-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.73
Rot. Bonds4

About [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone

[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone (PubChem CID 70706189) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
PubChem CID70706189
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
SMILESCc1nc(C(C)C)ncc1C(=O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C20H24FN3O2/c1-13(2)19-22-12-18(14(3)23-19)20(25)24-9-7-16(8-10-24)26-17-6-4-5-15(21)11-17/h4-6,11-13,16H,7-10H2,1-3H3
InChIKeyJHPGCSMXRNOSAT-UHFFFAOYSA-N
XLogP3.73
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone?
The IUPAC name of [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone (CID 70706189) is [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone is Cc1nc(C(C)C)ncc1C(=O)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone?
The InChIKey is JHPGCSMXRNOSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-13(2)19-22-12-18(14(3)23-19)20(25)24-9-7-16(8-10-24)26-17-6-4-5-15(21)11-17/h4-6,11-13,16H,7-10H2,1-3H3.
What are the key properties of [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone?
[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone has a molecular weight of 357.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 70706189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).