N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide

C25H24FN3O3 — CID 27849921

IUPACN-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C25H24FN3O3/c26-19-10-12-20(13-11-19)27-24(30)18-28-14-16-29(17-15-28)25(31)22-8-4-5-9-23(22)32-21-6-2-1-3-7-21/h1-13H,14-18H2,(H,27,30)
InChIKeyMMTRMSFDBWNOCY-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.01
Rot. Bonds6

About N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 27849921) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
PubChem CID27849921
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC NameN-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C25H24FN3O3/c26-19-10-12-20(13-11-19)27-24(30)18-28-14-16-29(17-15-28)25(31)22-8-4-5-9-23(22)32-21-6-2-1-3-7-21/h1-13H,14-18H2,(H,27,30)
InChIKeyMMTRMSFDBWNOCY-UHFFFAOYSA-N
XLogP4.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 30704409
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 52542227
N-(4-fluorophenyl)-2-[4-[5-(phenoxymethyl)furan-2-carbonyl]piperazin-1-yl]acetamide
CID 17439081
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 27849985
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 36876914
N-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 27849701
2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 43017485
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
2-[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 26816176
2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 39325357

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide (CID 27849921) is N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is MMTRMSFDBWNOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c26-19-10-12-20(13-11-19)27-24(30)18-28-14-16-29(17-15-28)25(31)22-8-4-5-9-23(22)32-21-6-2-1-3-7-21/h1-13H,14-18H2,(H,27,30).
What are the key properties of N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 433.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 27849921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).