1-[4-[2-(4-fluorophenoxy)ethyl]-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone

C19H26FN3O4 — CID 24733121

IUPAC1-[4-[2-(4-fluorophenoxy)ethyl]-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCOc2ccc(F)cc2)CC1C(=O)N1CCOCC1
InChIInChI=1S/C19H26FN3O4/c1-15(24)23-7-6-21(8-13-27-17-4-2-16(20)3-5-17)14-18(23)19(25)22-9-11-26-12-10-22/h2-5,18H,6-14H2,1H3
InChIKeyQPBOYHNJJXZJTB-UHFFFAOYSA-N
MW379.43 g/mol
LogP0.60
Rot. Bonds5

About 1-[4-[2-(4-fluorophenoxy)ethyl]-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone

1-[4-[2-(4-fluorophenoxy)ethyl]-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 24733121) has the molecular formula C19H26FN3O4 and a molecular weight of 379.43 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenoxy)ethyl]-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenoxy)ethyl]-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID24733121
Molecular FormulaC19H26FN3O4
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name1-[4-[2-(4-fluorophenoxy)ethyl]-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCOc2ccc(F)cc2)CC1C(=O)N1CCOCC1
InChIInChI=1S/C19H26FN3O4/c1-15(24)23-7-6-21(8-13-27-17-4-2-16(20)3-5-17)14-18(23)19(25)22-9-11-26-12-10-22/h2-5,18H,6-14H2,1H3
InChIKeyQPBOYHNJJXZJTB-UHFFFAOYSA-N
XLogP0.60
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one
CID 2852913
1-(4-Pentan-3-ylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenoxy]ethanone;hydrochloride
CID 18456179
1-[4-(2,6-Dimethylmorpholin-4-yl)piperidin-1-yl]-2-phenoxyethanone
CID 660912
1-[(4-Fluorophenoxy)acetyl]-2-methylpiperidine
CID 2928410
1-[(2-Fluorophenoxy)acetyl]-2-methylpiperidine
CID 2928811
4-(2-Phenoxyethyl)-1-propyl-1,4-diazepan-5-one
CID 24761300
1-Methyl-4-(2-phenoxyethyl)-1,4-diazepan-5-one
CID 24761302
N-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 24791533
1-(2-Ethylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 3153081
1,4-Bis(2-phenoxypropanoyl)piperazine
CID 4940211
1-Morpholin-4-yl-2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 9120109
1-[(2-Fluorophenoxy)acetyl]-2,6-dimethylpiperidine
CID 2929222

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenoxy)ethyl]-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-fluorophenoxy)ethyl]-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone (CID 24733121) is 1-[4-[2-(4-fluorophenoxy)ethyl]-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-fluorophenoxy)ethyl]-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-fluorophenoxy)ethyl]-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(CCOc2ccc(F)cc2)CC1C(=O)N1CCOCC1.
What is the InChIKey of 1-[4-[2-(4-fluorophenoxy)ethyl]-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is QPBOYHNJJXZJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O4/c1-15(24)23-7-6-21(8-13-27-17-4-2-16(20)3-5-17)14-18(23)19(25)22-9-11-26-12-10-22/h2-5,18H,6-14H2,1H3.
What are the key properties of 1-[4-[2-(4-fluorophenoxy)ethyl]-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone?
1-[4-[2-(4-fluorophenoxy)ethyl]-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 379.43 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenoxy)ethyl]-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 24733121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).