3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride

C19H21ClFN3O2 — CID 118741941

IUPAC3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1cccc(C2CNCCN2C(=O)c2cccc(F)c2)c1.Cl
InChIInChI=1S/C19H20FN3O2.ClH/c1-21-18(24)14-5-2-4-13(10-14)17-12-22-8-9-23(17)19(25)15-6-3-7-16(20)11-15;/h2-7,10-11,17,22H,8-9,12H2,1H3,(H,21,24);1H
InChIKeySGQCRHTXTWEMBB-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.39
Rot. Bonds3

About 3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride

3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride (PubChem CID 118741941) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is 3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride
PubChem CID118741941
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC Name3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1cccc(C2CNCCN2C(=O)c2cccc(F)c2)c1.Cl
InChIInChI=1S/C19H20FN3O2.ClH/c1-21-18(24)14-5-2-4-13(10-14)17-12-22-8-9-23(17)19(25)15-6-3-7-16(20)11-15;/h2-7,10-11,17,22H,8-9,12H2,1H3,(H,21,24);1H
InChIKeySGQCRHTXTWEMBB-UHFFFAOYSA-N
XLogP2.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 120735890
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide
CID 120737949
N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
CID 120736985
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
3-[(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-2-yl]-N-methylbenzamide
CID 124998546
3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide
CID 110109482
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 120738086

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride?
The IUPAC name of 3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride (CID 118741941) is 3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride?
The canonical SMILES for 3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride is CNC(=O)c1cccc(C2CNCCN2C(=O)c2cccc(F)c2)c1.Cl.
What is the InChIKey of 3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride?
The InChIKey is SGQCRHTXTWEMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2.ClH/c1-21-18(24)14-5-2-4-13(10-14)17-12-22-8-9-23(17)19(25)15-6-3-7-16(20)11-15;/h2-7,10-11,17,22H,8-9,12H2,1H3,(H,21,24);1H.
What are the key properties of 3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride?
3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride has a molecular weight of 377.85 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 118741941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).