(3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone

C19H19FN2O3 — CID 38496822

IUPAC(3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c(O)c1
InChIInChI=1S/C19H19FN2O3/c1-13-5-6-16(17(23)11-13)19(25)22-9-7-21(8-10-22)18(24)14-3-2-4-15(20)12-14/h2-6,11-12,23H,7-10H2,1H3
InChIKeyPZDIILGUTLFFJG-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.44
Rot. Bonds2

About (3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone

(3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone (PubChem CID 38496822) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone
PubChem CID38496822
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name(3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c(O)c1
InChIInChI=1S/C19H19FN2O3/c1-13-5-6-16(17(23)11-13)19(25)22-9-7-21(8-10-22)18(24)14-3-2-4-15(20)12-14/h2-6,11-12,23H,7-10H2,1H3
InChIKeyPZDIILGUTLFFJG-UHFFFAOYSA-N
XLogP2.44
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone
CID 32523344
[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 38583412
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079249
(3-fluorophenyl)-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545753
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289
(3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100477
(3-fluorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638138
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 32520597
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone (CID 38496822) is (3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c(O)c1.
What is the InChIKey of (3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is PZDIILGUTLFFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-13-5-6-16(17(23)11-13)19(25)22-9-7-21(8-10-22)18(24)14-3-2-4-15(20)12-14/h2-6,11-12,23H,7-10H2,1H3.
What are the key properties of (3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 342.37 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 38496822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).