[4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone

C23H27FN4O4 — CID 24733123

IUPAC[4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(CCOc2ccc(F)cc2)CCN1C(=O)c1ccncc1)N1CCOCC1
InChIInChI=1S/C23H27FN4O4/c24-19-1-3-20(4-2-19)32-16-11-26-9-10-28(22(29)18-5-7-25-8-6-18)21(17-26)23(30)27-12-14-31-15-13-27/h1-8,21H,9-17H2
InChIKeyIZGWPKHUAGQWMC-UHFFFAOYSA-N
MW442.49 g/mol
LogP1.28
Rot. Bonds6

About [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone

[4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 24733123) has the molecular formula C23H27FN4O4 and a molecular weight of 442.49 g/mol. Its IUPAC name is [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
PubChem CID24733123
Molecular FormulaC23H27FN4O4
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name[4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(CCOc2ccc(F)cc2)CCN1C(=O)c1ccncc1)N1CCOCC1
InChIInChI=1S/C23H27FN4O4/c24-19-1-3-20(4-2-19)32-16-11-26-9-10-28(22(29)18-5-7-25-8-6-18)21(17-26)23(30)27-12-14-31-15-13-27/h1-8,21H,9-17H2
InChIKeyIZGWPKHUAGQWMC-UHFFFAOYSA-N
XLogP1.28
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 717251
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-isonicotinamide
CID 10640907
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 110284669
N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide
CID 2532614
(6-(4-Fluorophenoxy)pyridin-3-yl)(4-isopropylpiperazin-1-yl)methanone
CID 24771017
(4-Isopropylpiperazin-1-yl)(6-phenoxypyridin-3-yl)methanone
CID 24771245
(4-Cyclopropylpiperazin-1-yl)(6-(4-fluorophenoxy)pyridin-3-yl)methanone
CID 24771417
[9-[[2-(2-Methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyridin-4-ylmethanone
CID 44598057
3-Isonicotinoyl-9-{2-[(2-methylprop-2-en-1-yl)oxy]benzyl}-3,9-diazaspiro[5.5]undecane
CID 44598819
Pyridin-4-yl-[9-[[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 44598820
2-(2,4-difluorophenoxy)-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide
CID 46868943
2-(4-fluorophenoxy)-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide
CID 46869624

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone (CID 24733123) is [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone is O=C(C1CN(CCOc2ccc(F)cc2)CCN1C(=O)c1ccncc1)N1CCOCC1.
What is the InChIKey of [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is IZGWPKHUAGQWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4/c24-19-1-3-20(4-2-19)32-16-11-26-9-10-28(22(29)18-5-7-25-8-6-18)21(17-26)23(30)27-12-14-31-15-13-27/h1-8,21H,9-17H2.
What are the key properties of [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
[4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 442.49 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24733123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).