5-[2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one

C19H22FN3O3 — CID 70743131

IUPAC5-[2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCCC(COc3ccc(F)cc3)C2)c(=O)[nH]1
InChIInChI=1S/C19H22FN3O3/c1-13-21-10-15(19(25)22-13)9-18(24)23-8-2-3-14(11-23)12-26-17-6-4-16(20)5-7-17/h4-7,10,14H,2-3,8-9,11-12H2,1H3,(H,21,22,25)
InChIKeyBEYKDGVGOUTLHK-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.08
Rot. Bonds5

About 5-[2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one

5-[2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 70743131) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 5-[2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID70743131
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name5-[2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCCC(COc3ccc(F)cc3)C2)c(=O)[nH]1
InChIInChI=1S/C19H22FN3O3/c1-13-21-10-15(19(25)22-13)9-18(24)23-8-2-3-14(11-23)12-26-17-6-4-16(20)5-7-17/h4-7,10,14H,2-3,8-9,11-12H2,1H3,(H,21,22,25)
InChIKeyBEYKDGVGOUTLHK-UHFFFAOYSA-N
XLogP2.08
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one (CID 70743131) is 5-[2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(CC(=O)N2CCCC(COc3ccc(F)cc3)C2)c(=O)[nH]1.
What is the InChIKey of 5-[2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is BEYKDGVGOUTLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-13-21-10-15(19(25)22-13)9-18(24)23-8-2-3-14(11-23)12-26-17-6-4-16(20)5-7-17/h4-7,10,14H,2-3,8-9,11-12H2,1H3,(H,21,22,25).
What are the key properties of 5-[2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
5-[2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 359.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 70743131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).