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

C20H22FN3O4 — CID 27849701

IUPACN-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(O)c1
InChIInChI=1S/C20H22FN3O4/c1-28-16-6-7-17(18(25)12-16)20(27)24-10-8-23(9-11-24)13-19(26)22-15-4-2-14(21)3-5-15/h2-7,12,25H,8-11,13H2,1H3,(H,22,26)
InChIKeyWEGRWTCPOSYAFH-UHFFFAOYSA-N
MW387.41 g/mol
LogP1.94
Rot. Bonds5

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

N-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 27849701) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide
PubChem CID27849701
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC NameN-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(O)c1
InChIInChI=1S/C20H22FN3O4/c1-28-16-6-7-17(18(25)12-16)20(27)24-10-8-23(9-11-24)13-19(26)22-15-4-2-14(21)3-5-15/h2-7,12,25H,8-11,13H2,1H3,(H,22,26)
InChIKeyWEGRWTCPOSYAFH-UHFFFAOYSA-N
XLogP1.94
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
N-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide
CID 46445784
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 36875241
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 27849985
2-[4-(3-bromo-2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 60550834
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 55364252
2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 43017485
N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 27849921
N-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide
CID 27854744
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 63308508
N-(4-fluorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491366

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide (CID 27849701) is N-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide is COc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(O)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is WEGRWTCPOSYAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-28-16-6-7-17(18(25)12-16)20(27)24-10-8-23(9-11-24)13-19(26)22-15-4-2-14(21)3-5-15/h2-7,12,25H,8-11,13H2,1H3,(H,22,26).
What are the key properties of N-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 387.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 27849701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).