2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone

C20H26FN3O3 — CID 86914646

IUPAC2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(C(=O)C2CC2c2ccccc2F)CC1)N1CCOCC1
InChIInChI=1S/C20H26FN3O3/c21-18-4-2-1-3-15(18)16-13-17(16)20(26)24-7-5-22(6-8-24)14-19(25)23-9-11-27-12-10-23/h1-4,16-17H,5-14H2
InChIKeyOSUJTEDBRKQUCI-UHFFFAOYSA-N
MW375.44 g/mol
LogP0.93
Rot. Bonds4

About 2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 86914646) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID86914646
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Name2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(C(=O)C2CC2c2ccccc2F)CC1)N1CCOCC1
InChIInChI=1S/C20H26FN3O3/c21-18-4-2-1-3-15(18)16-13-17(16)20(26)24-7-5-22(6-8-24)14-19(25)23-9-11-27-12-10-23/h1-4,16-17H,5-14H2
InChIKeyOSUJTEDBRKQUCI-UHFFFAOYSA-N
XLogP0.93
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-fluorophenyl)cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 55474971
[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 129462021
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651
2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 56820036
1-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 167956955
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone
CID 52543843
N-(2-chlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802177
1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686471
morpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone
CID 819622
N-[2-(2-fluorophenyl)ethyl]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
CID 55738783
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone
CID 55474132
cis-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] (1S,2R)-2-(2-fluorophenyl)cyclopropane-1-carboxylate
CID 97014118

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 86914646) is 2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone is O=C(CN1CCN(C(=O)C2CC2c2ccccc2F)CC1)N1CCOCC1.
What is the InChIKey of 2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is OSUJTEDBRKQUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c21-18-4-2-1-3-15(18)16-13-17(16)20(26)24-7-5-22(6-8-24)14-19(25)23-9-11-27-12-10-23/h1-4,16-17H,5-14H2.
What are the key properties of 2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 375.44 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 86914646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).