[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone

C19H18F2N2O2 — CID 48868968

IUPAC[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C19H18F2N2O2/c1-13-4-2-3-5-15(13)18(24)22-8-10-23(11-9-22)19(25)16-12-14(20)6-7-17(16)21/h2-7,12H,8-11H2,1H3
InChIKeyYJXZEPLOZCNEAQ-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.87
Rot. Bonds2

About [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone

[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 48868968) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID48868968
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C19H18F2N2O2/c1-13-4-2-3-5-15(13)18(24)22-8-10-23(11-9-22)19(25)16-12-14(20)6-7-17(16)21/h2-7,12H,8-11H2,1H3
InChIKeyYJXZEPLOZCNEAQ-UHFFFAOYSA-N
XLogP2.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
(2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 78802706
[4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 166198252
(2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 110804484
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 35371198
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]-2-(2,4-dimethylphenyl)ethanone
CID 110815187
1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 48869030
[4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 92767686
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone (CID 48868968) is [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCN(C(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is YJXZEPLOZCNEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-13-4-2-3-5-15(13)18(24)22-8-10-23(11-9-22)19(25)16-12-14(20)6-7-17(16)21/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone?
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 344.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 48868968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).