(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone

C17H24FN3O2 — CID 113073665

IUPAC(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C17H24FN3O2/c18-16-3-1-2-15(14-16)17(22)21-8-6-19(7-9-21)4-5-20-10-12-23-13-11-20/h1-3,14H,4-13H2
InChIKeyZDWXWKVQTFLAOY-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.92
Rot. Bonds4

About (3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone

(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone (PubChem CID 113073665) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
PubChem CID113073665
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C17H24FN3O2/c18-16-3-1-2-15(14-16)17(22)21-8-6-19(7-9-21)4-5-20-10-12-23-13-11-20/h1-3,14H,4-13H2
InChIKeyZDWXWKVQTFLAOY-UHFFFAOYSA-N
XLogP0.92
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78896045
[4-(2-chloroethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 39161614
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone
CID 92568467
[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 764804
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide
CID 110397771
(3-fluorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638138
(3-fluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]-1,4-diazepan-1-yl]methanone
CID 111439517
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 47025111
(3-fluorophenyl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97412413

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone (CID 113073665) is (3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
The InChIKey is ZDWXWKVQTFLAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c18-16-3-1-2-15(14-16)17(22)21-8-6-19(7-9-21)4-5-20-10-12-23-13-11-20/h1-3,14H,4-13H2.
What are the key properties of (3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone has a molecular weight of 321.40 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113073665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).