1-[(2-fluorophenyl)methyl]-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one;methyl formate

C19H24FN3O4 — CID 174654553

IUPAC1-[(2-fluorophenyl)methyl]-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one;methyl formate
SMILESCOC=O.O=c1c(O)c(CN2CCNCC2)ccn1Cc1ccccc1F
InChIInChI=1S/C17H20FN3O2.C2H4O2/c18-15-4-2-1-3-13(15)12-21-8-5-14(16(22)17(21)23)11-20-9-6-19-7-10-20;1-4-2-3/h1-5,8,19,22H,6-7,9-12H2;2H,1H3
InChIKeyFVPSOMDAAAQRQD-UHFFFAOYSA-N
MW377.42 g/mol
LogP0.94
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one;methyl formate

1-[(2-fluorophenyl)methyl]-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one;methyl formate (PubChem CID 174654553) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one;methyl formate.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one;methyl formate
PubChem CID174654553
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name1-[(2-fluorophenyl)methyl]-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one;methyl formate
SMILESCOC=O.O=c1c(O)c(CN2CCNCC2)ccn1Cc1ccccc1F
InChIInChI=1S/C17H20FN3O2.C2H4O2/c18-15-4-2-1-3-13(15)12-21-8-5-14(16(22)17(21)23)11-20-9-6-19-7-10-20;1-4-2-3/h1-5,8,19,22H,6-7,9-12H2;2H,1H3
InChIKeyFVPSOMDAAAQRQD-UHFFFAOYSA-N
XLogP0.94
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-[(2-fluorophenyl)methyl]-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one;methyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(2-chlorophenyl)methyl]-2-oxo-4-(piperazin-1-ylmethyl)-3-pyridinyl] acetate
CID 174703954
1-[(2-fluorophenyl)methyl]-3-hydroxypyridin-2-one
CID 53235463
1-[(2-fluorophenyl)methyl]-1,4-diazepane;hydrate;dihydrochloride
CID 47000648
1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 82509697
[1-[(2-chlorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl piperazine-1-carboxylate
CID 159034296
6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol
CID 117353436
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
1-[(2-fluorophenyl)methyl]pyridin-2-one
CID 664770
1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one
CID 67194314
1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine
CID 117111632
methyl 2-(piperazin-1-ylmethyl)benzoate
CID 44829012
2-fluoro-3-methylsulfonyl-6-(piperazin-1-ylmethyl)phenol
CID 117465783

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one;methyl formate?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one;methyl formate (CID 174654553) is 1-[(2-fluorophenyl)methyl]-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one;methyl formate.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one;methyl formate?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one;methyl formate is COC=O.O=c1c(O)c(CN2CCNCC2)ccn1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one;methyl formate?
The InChIKey is FVPSOMDAAAQRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2.C2H4O2/c18-15-4-2-1-3-13(15)12-21-8-5-14(16(22)17(21)23)11-20-9-6-19-7-10-20;1-4-2-3/h1-5,8,19,22H,6-7,9-12H2;2H,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one;methyl formate?
1-[(2-fluorophenyl)methyl]-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one;methyl formate has a molecular weight of 377.42 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one;methyl formate is sourced from PubChem (CID 174654553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).