2-(4-fluorophenoxy)-1-[4-[[3-(piperidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone

C25H30FN3O3 — CID 78905265

IUPAC2-(4-fluorophenoxy)-1-[4-[[3-(piperidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C25H30FN3O3/c26-22-7-9-23(10-8-22)32-19-24(30)28-15-13-27(14-16-28)18-20-5-4-6-21(17-20)25(31)29-11-2-1-3-12-29/h4-10,17H,1-3,11-16,18-19H2
InChIKeyXNRBLSLPQJHAAK-UHFFFAOYSA-N
MW439.53 g/mol
LogP3.17
Rot. Bonds6

About 2-(4-fluorophenoxy)-1-[4-[[3-(piperidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone

2-(4-fluorophenoxy)-1-[4-[[3-(piperidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone (PubChem CID 78905265) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[4-[[3-(piperidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[4-[[3-(piperidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone
PubChem CID78905265
Molecular FormulaC25H30FN3O3
Molecular Weight439.53 g/mol
Exact Mass439.23
IUPAC Name2-(4-fluorophenoxy)-1-[4-[[3-(piperidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C25H30FN3O3/c26-22-7-9-23(10-8-22)32-19-24(30)28-15-13-27(14-16-28)18-20-5-4-6-21(17-20)25(31)29-11-2-1-3-12-29/h4-10,17H,1-3,11-16,18-19H2
InChIKeyXNRBLSLPQJHAAK-UHFFFAOYSA-N
XLogP3.17
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
3-[[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 122028616
1-(azocan-1-yl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 55397362
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 704351
1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 78877266
1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone
CID 35529114
2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 2878469
(3-aminophenyl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 119838903
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072053
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-nitrophenoxy)ethanone
CID 32521070

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[4-[[3-(piperidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[4-[[3-(piperidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone (CID 78905265) is 2-(4-fluorophenoxy)-1-[4-[[3-(piperidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[4-[[3-(piperidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[4-[[3-(piperidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone is O=C(COc1ccc(F)cc1)N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[4-[[3-(piperidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is XNRBLSLPQJHAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3/c26-22-7-9-23(10-8-22)32-19-24(30)28-15-13-27(14-16-28)18-20-5-4-6-21(17-20)25(31)29-11-2-1-3-12-29/h4-10,17H,1-3,11-16,18-19H2.
What are the key properties of 2-(4-fluorophenoxy)-1-[4-[[3-(piperidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone?
2-(4-fluorophenoxy)-1-[4-[[3-(piperidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 439.53 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[4-[[3-(piperidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 78905265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).