2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone

C20H24FN3O — CID 120737496

IUPAC2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
SMILESCN(CC(=O)N1CCNCC1c1cccc(F)c1)Cc1ccccc1
InChIInChI=1S/C20H24FN3O/c1-23(14-16-6-3-2-4-7-16)15-20(25)24-11-10-22-13-19(24)17-8-5-9-18(21)12-17/h2-9,12,19,22H,10-11,13-15H2,1H3
InChIKeyCDHLVBASXCDMBB-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.43
Rot. Bonds5

About 2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone

2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 120737496) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID120737496
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
SMILESCN(CC(=O)N1CCNCC1c1cccc(F)c1)Cc1ccccc1
InChIInChI=1S/C20H24FN3O/c1-23(14-16-6-3-2-4-7-16)15-20(25)24-11-10-22-13-19(24)17-8-5-9-18(21)12-17/h2-9,12,19,22H,10-11,13-15H2,1H3
InChIKeyCDHLVBASXCDMBB-UHFFFAOYSA-N
XLogP2.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone
CID 120735825
2-[benzyl(methyl)amino]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731815
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 120736192
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
4,4,4-trifluoro-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120736228
N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride
CID 120737225
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 120736221
N-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756533

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone (CID 120737496) is 2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone is CN(CC(=O)N1CCNCC1c1cccc(F)c1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is CDHLVBASXCDMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-23(14-16-6-3-2-4-7-16)15-20(25)24-11-10-22-13-19(24)17-8-5-9-18(21)12-17/h2-9,12,19,22H,10-11,13-15H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 341.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120737496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).