[4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone

C19H19FN2O2 — CID 154833021

IUPAC[4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1F
InChIInChI=1S/C19H19FN2O2/c1-14-6-5-9-16(17(14)20)19(24)22-12-10-21(11-13-22)18(23)15-7-3-2-4-8-15/h2-9H,10-13H2,1H3
InChIKeyGSUOREPXXCSGPL-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.73
Rot. Bonds2

About [4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone

[4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone (PubChem CID 154833021) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is [4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
PubChem CID154833021
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name[4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1F
InChIInChI=1S/C19H19FN2O2/c1-14-6-5-9-16(17(14)20)19(24)22-12-10-21(11-13-22)18(23)15-7-3-2-4-8-15/h2-9H,10-13H2,1H3
InChIKeyGSUOREPXXCSGPL-UHFFFAOYSA-N
XLogP2.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
(2-fluoro-3-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80717951
ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate
CID 80710422
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711261
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81479699
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 80710685
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
(4,4-dimethylazepan-1-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711269
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-fluoro-3-methylphenyl)methanone
CID 80718430

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone (CID 154833021) is [4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone is Cc1cccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1F.
What is the InChIKey of [4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is GSUOREPXXCSGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-14-6-5-9-16(17(14)20)19(24)22-12-10-21(11-13-22)18(23)15-7-3-2-4-8-15/h2-9H,10-13H2,1H3.
What are the key properties of [4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone?
[4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 326.37 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 154833021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).