2-[1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one

C19H24FN3O2 — CID 137097414

IUPAC2-[1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C(C)N2CCC(OCc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H24FN3O2/c1-13-11-18(24)22-19(21-13)14(2)23-9-7-17(8-10-23)25-12-15-3-5-16(20)6-4-15/h3-6,11,14,17H,7-10,12H2,1-2H3,(H,21,22,24)
InChIKeyMQFGSCRLCGLBOU-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.96
Rot. Bonds5

About 2-[1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one

2-[1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137097414) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137097414
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name2-[1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C(C)N2CCC(OCc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H24FN3O2/c1-13-11-18(24)22-19(21-13)14(2)23-9-7-17(8-10-23)25-12-15-3-5-16(20)6-4-15/h3-6,11,14,17H,7-10,12H2,1-2H3,(H,21,22,24)
InChIKeyMQFGSCRLCGLBOU-UHFFFAOYSA-N
XLogP2.96
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one (CID 137097414) is 2-[1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C(C)N2CCC(OCc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is MQFGSCRLCGLBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-13-11-18(24)22-19(21-13)14(2)23-9-7-17(8-10-23)25-12-15-3-5-16(20)6-4-15/h3-6,11,14,17H,7-10,12H2,1-2H3,(H,21,22,24).
What are the key properties of 2-[1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one?
2-[1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 345.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137097414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).