(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone

C20H21FN2O2 — CID 110365044

IUPAC(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1C
InChIInChI=1S/C20H21FN2O2/c1-14-7-8-16(13-15(14)2)19(24)22-9-11-23(12-10-22)20(25)17-5-3-4-6-18(17)21/h3-8,13H,9-12H2,1-2H3
InChIKeyPQYWUQQZBIFGPN-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.04
Rot. Bonds2

About (3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone

(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone (PubChem CID 110365044) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
PubChem CID110365044
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1C
InChIInChI=1S/C20H21FN2O2/c1-14-7-8-16(13-15(14)2)19(24)22-9-11-23(12-10-22)20(25)17-5-3-4-6-18(17)21/h3-8,13H,9-12H2,1-2H3
InChIKeyPQYWUQQZBIFGPN-UHFFFAOYSA-N
XLogP3.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-4-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]butane-1,4-dione
CID 78850097
N-[5-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]-2-methylphenyl]acetamide
CID 78875548
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
(3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 33463726
(4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365249
(4-fluoro-3-methylphenyl)-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110816500
(3,4-dimethylphenyl)-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814867
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701
[4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110399497
(2-fluorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 33466313
1-[5-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone
CID 1152757
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone (CID 110365044) is (3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is PQYWUQQZBIFGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14-7-8-16(13-15(14)2)19(24)22-9-11-23(12-10-22)20(25)17-5-3-4-6-18(17)21/h3-8,13H,9-12H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 340.40 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110365044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).