4-[[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]oxy-methylamino]oxane-4-carboxamide

C23H29FN4O3 — CID 142824990

IUPAC4-[[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]oxy-methylamino]oxane-4-carboxamide
SMILESCN(ON1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1)C1(C(N)=O)CCOCC1
InChIInChI=1S/C23H29FN4O3/c1-26(23(22(25)29)10-16-30-17-11-23)31-28-14-12-27(13-15-28)21-8-4-19(5-9-21)18-2-6-20(24)7-3-18/h2-9H,10-17H2,1H3,(H2,25,29)
InChIKeyQFBSRMANLWLNFU-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.43
Rot. Bonds6

About 4-[[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]oxy-methylamino]oxane-4-carboxamide

4-[[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]oxy-methylamino]oxane-4-carboxamide (PubChem CID 142824990) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is 4-[[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]oxy-methylamino]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]oxy-methylamino]oxane-4-carboxamide
PubChem CID142824990
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC Name4-[[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]oxy-methylamino]oxane-4-carboxamide
SMILESCN(ON1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1)C1(C(N)=O)CCOCC1
InChIInChI=1S/C23H29FN4O3/c1-26(23(22(25)29)10-16-30-17-11-23)31-28-14-12-27(13-15-28)21-8-4-19(5-9-21)18-2-6-20(24)7-3-18/h2-9H,10-17H2,1H3,(H2,25,29)
InChIKeyQFBSRMANLWLNFU-UHFFFAOYSA-N
XLogP2.43
TPSA71.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide
CID 142824899
4-(4-fluorophenyl)-N'-[(4-hydroxyoxan-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111089788
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea
CID 72939182
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
ethyl 1-(4-fluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylate
CID 2405026
methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutanoate
CID 79413715
3-(4-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 27734751
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
CID 55818342
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
1-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111812052

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]oxy-methylamino]oxane-4-carboxamide?
The IUPAC name of 4-[[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]oxy-methylamino]oxane-4-carboxamide (CID 142824990) is 4-[[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]oxy-methylamino]oxane-4-carboxamide.
What is the SMILES notation for 4-[[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]oxy-methylamino]oxane-4-carboxamide?
The canonical SMILES for 4-[[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]oxy-methylamino]oxane-4-carboxamide is CN(ON1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1)C1(C(N)=O)CCOCC1.
What is the InChIKey of 4-[[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]oxy-methylamino]oxane-4-carboxamide?
The InChIKey is QFBSRMANLWLNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c1-26(23(22(25)29)10-16-30-17-11-23)31-28-14-12-27(13-15-28)21-8-4-19(5-9-21)18-2-6-20(24)7-3-18/h2-9H,10-17H2,1H3,(H2,25,29).
What are the key properties of 4-[[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]oxy-methylamino]oxane-4-carboxamide?
4-[[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]oxy-methylamino]oxane-4-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]oxy-methylamino]oxane-4-carboxamide is sourced from PubChem (CID 142824990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).