3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide

C20H22FN3O2 — CID 120737949

IUPAC3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(C(=O)N2CCNCC2c2cccc(F)c2)c1
InChIInChI=1S/C20H22FN3O2/c1-23(2)19(25)15-6-3-7-16(11-15)20(26)24-10-9-22-13-18(24)14-5-4-8-17(21)12-14/h3-8,11-12,18,22H,9-10,13H2,1-2H3
InChIKeyPZGWTNVWCMJHSF-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.31
Rot. Bonds3

About 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide

3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide (PubChem CID 120737949) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide
PubChem CID120737949
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(C(=O)N2CCNCC2c2cccc(F)c2)c1
InChIInChI=1S/C20H22FN3O2/c1-23(2)19(25)15-6-3-7-16(11-15)20(26)24-10-9-22-13-18(24)14-5-4-8-17(21)12-14/h3-8,11-12,18,22H,9-10,13H2,1-2H3
InChIKeyPZGWTNVWCMJHSF-UHFFFAOYSA-N
XLogP2.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
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
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064
N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120736229
3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride
CID 118741941
[2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
CID 120736025
2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737068
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-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide (CID 120737949) is 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(C(=O)N2CCNCC2c2cccc(F)c2)c1.
What is the InChIKey of 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide?
The InChIKey is PZGWTNVWCMJHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-23(2)19(25)15-6-3-7-16(11-15)20(26)24-10-9-22-13-18(24)14-5-4-8-17(21)12-14/h3-8,11-12,18,22H,9-10,13H2,1-2H3.
What are the key properties of 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide?
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide has a molecular weight of 355.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 120737949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).