[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone

C25H22ClFN2O3 — CID 31307424

IUPAC[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
SMILESO=C(c1ccccc1Cl)N1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)CC1
InChIInChI=1S/C25H22ClFN2O3/c26-22-7-3-1-5-20(22)24(30)28-13-15-29(16-14-28)25(31)21-6-2-4-8-23(21)32-17-18-9-11-19(27)12-10-18/h1-12H,13-17H2
InChIKeyNPEMUGCPZYCLPI-UHFFFAOYSA-N
MW452.91 g/mol
LogP4.66
Rot. Bonds5

About [4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone

[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone (PubChem CID 31307424) has the molecular formula C25H22ClFN2O3 and a molecular weight of 452.91 g/mol. Its IUPAC name is [4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
PubChem CID31307424
Molecular FormulaC25H22ClFN2O3
Molecular Weight452.91 g/mol
Exact Mass452.13
IUPAC Name[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
SMILESO=C(c1ccccc1Cl)N1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)CC1
InChIInChI=1S/C25H22ClFN2O3/c26-22-7-3-1-5-20(22)24(30)28-13-15-29(16-14-28)25(31)21-6-2-4-8-23(21)32-17-18-9-11-19(27)12-10-18/h1-12H,13-17H2
InChIKeyNPEMUGCPZYCLPI-UHFFFAOYSA-N
XLogP4.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.91
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone with MolForge

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Related Compounds

(4-chlorophenyl)-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46550478
1-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]-1,4-diazepan-1-yl]ethanone
CID 134039062
1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119415302
2-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543175
(4-aminopiperidin-1-yl)-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119373858
methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51153897
[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112803676
(3S)-1-[2-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124703449
(4-benzylpiperazin-1-yl)-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 7964644
[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 17477211
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 32761996
[2-[(4-fluorophenyl)methoxy]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 110878351

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone?
The IUPAC name of [4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone (CID 31307424) is [4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone.
What is the SMILES notation for [4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone?
The canonical SMILES for [4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone is O=C(c1ccccc1Cl)N1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)CC1.
What is the InChIKey of [4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone?
The InChIKey is NPEMUGCPZYCLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN2O3/c26-22-7-3-1-5-20(22)24(30)28-13-15-29(16-14-28)25(31)21-6-2-4-8-23(21)32-17-18-9-11-19(27)12-10-18/h1-12H,13-17H2.
What are the key properties of [4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone?
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone has a molecular weight of 452.91 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone is sourced from PubChem (CID 31307424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).