N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide

C20H22FN3O2 — CID 27849975

IUPACN-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCc1cccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H22FN3O2/c1-15-3-2-4-16(13-15)20(26)24-11-9-23(10-12-24)14-19(25)22-18-7-5-17(21)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,22,25)
InChIKeyJFWQYNFJUQAENZ-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.53
Rot. Bonds4

About N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 27849975) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide
PubChem CID27849975
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCc1cccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H22FN3O2/c1-15-3-2-4-16(13-15)20(26)24-11-9-23(10-12-24)14-19(25)22-18-7-5-17(21)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,22,25)
InChIKeyJFWQYNFJUQAENZ-UHFFFAOYSA-N
XLogP2.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021927
N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide
CID 27849909
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 37104994
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744
N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide
CID 9022059
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 36875625
N-(4-fluorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491366
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 36875241
N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide
CID 8719245
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide
CID 37106980
N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide (CID 27849975) is N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide is Cc1cccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is JFWQYNFJUQAENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-15-3-2-4-16(13-15)20(26)24-11-9-23(10-12-24)14-19(25)22-18-7-5-17(21)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,22,25).
What are the key properties of N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 355.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 27849975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).