2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone

C20H21FN2O2 — CID 35371198

IUPAC2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
SMILESCc1ccccc1C(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O2/c1-15-4-2-3-5-18(15)20(25)23-12-10-22(11-13-23)19(24)14-16-6-8-17(21)9-7-16/h2-9H,10-14H2,1H3
InChIKeyKSMPNWYFGXZRAQ-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.66
Rot. Bonds3

About 2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 35371198) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
PubChem CID35371198
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
SMILESCc1ccccc1C(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O2/c1-15-4-2-3-5-18(15)20(25)23-12-10-22(11-13-23)19(24)14-16-6-8-17(21)9-7-16/h2-9H,10-14H2,1H3
InChIKeyKSMPNWYFGXZRAQ-UHFFFAOYSA-N
XLogP2.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]ethanone
CID 108533899
3-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798237
2-(4-fluorophenoxy)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 110818136
[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 110365411
2-(1,3-benzodioxol-5-yl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 110802155
1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 48869030
3,3,3-trifluoro-1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 51099278
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 48868968
2-(4-fluorophenyl)-1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]ethanone
CID 55657486
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365357
N-[(4-fluorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935481

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone (CID 35371198) is 2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone is Cc1ccccc1C(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is KSMPNWYFGXZRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-15-4-2-3-5-18(15)20(25)23-12-10-22(11-13-23)19(24)14-16-6-8-17(21)9-7-16/h2-9H,10-14H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 340.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 35371198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).