5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one

C20H26FN3O2 — CID 53191688

IUPAC5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(CN2CCN(Cc3ccccc3F)CC2)ccc1=O
InChIInChI=1S/C20H26FN3O2/c1-26-13-12-24-15-17(6-7-20(24)25)14-22-8-10-23(11-9-22)16-18-4-2-3-5-19(18)21/h2-7,15H,8-14,16H2,1H3
InChIKeyRMBTYIFVWWCWQP-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.95
Rot. Bonds7

About 5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one

5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 53191688) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one
PubChem CID53191688
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(CN2CCN(Cc3ccccc3F)CC2)ccc1=O
InChIInChI=1S/C20H26FN3O2/c1-26-13-12-24-15-17(6-7-20(24)25)14-22-8-10-23(11-9-22)16-18-4-2-3-5-19(18)21/h2-7,15H,8-14,16H2,1H3
InChIKeyRMBTYIFVWWCWQP-UHFFFAOYSA-N
XLogP1.95
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one (CID 53191688) is 5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one is COCCn1cc(CN2CCN(Cc3ccccc3F)CC2)ccc1=O.
What is the InChIKey of 5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is RMBTYIFVWWCWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-26-13-12-24-15-17(6-7-20(24)25)14-22-8-10-23(11-9-22)16-18-4-2-3-5-19(18)21/h2-7,15H,8-14,16H2,1H3.
What are the key properties of 5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one?
5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 359.45 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 53191688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).