[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate

C23H27FN4O4 — CID 30685586

IUPAC[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
SMILESO=C(OCC(=O)N1CCN(Cc2ccccc2F)CC1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H27FN4O4/c24-20-4-2-1-3-19(20)16-26-7-9-28(10-8-26)22(29)17-32-23(30)18-5-6-21(25-15-18)27-11-13-31-14-12-27/h1-6,15H,7-14,16-17H2
InChIKeyROVWZLOXDRDHPM-UHFFFAOYSA-N
MW442.49 g/mol
LogP1.56
Rot. Bonds6

About [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate

[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 30685586) has the molecular formula C23H27FN4O4 and a molecular weight of 442.49 g/mol. Its IUPAC name is [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
PubChem CID30685586
Molecular FormulaC23H27FN4O4
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
SMILESO=C(OCC(=O)N1CCN(Cc2ccccc2F)CC1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H27FN4O4/c24-20-4-2-1-3-19(20)16-26-7-9-28(10-8-26)22(29)17-32-23(30)18-5-6-21(25-15-18)27-11-13-31-14-12-27/h1-6,15H,7-14,16-17H2
InChIKeyROVWZLOXDRDHPM-UHFFFAOYSA-N
XLogP1.56
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate with MolForge

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Related Compounds

Morniflumate
CID 72106
FG 5893
CID 127728
Methyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate
CID 1483244
[2-(Carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2531853
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2544910
Allyl 6-(4-phenylpiperazino)nicotinate
CID 3609289
Methyl 2-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
CID 15988226
2-{4-[4-(4,4-Dimethyl-2,6-dioxo-piperidin-1-yl)-butyl]-piperazin-1-yl}-nicotinic acid methyl ester
CID 13771043
Ethyl 6-[4-(anilinocarbonyl)piperazin-1-yl]-5-cyanonicotinate
CID 24751574
(2-Amino-2-oxoethyl) 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2544894
Propan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 1483238
[2-[2-(2,4-Dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 3661078

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate (CID 30685586) is [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate is O=C(OCC(=O)N1CCN(Cc2ccccc2F)CC1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is ROVWZLOXDRDHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4/c24-20-4-2-1-3-19(20)16-26-7-9-28(10-8-26)22(29)17-32-23(30)18-5-6-21(25-15-18)27-11-13-31-14-12-27/h1-6,15H,7-14,16-17H2.
What are the key properties of [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 442.49 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 30685586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).