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

C16H24FN3O — CID 120735825

IUPAC1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone
SMILESCCCN(C)CC(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C16H24FN3O/c1-3-8-19(2)12-16(21)20-9-7-18-11-15(20)13-5-4-6-14(17)10-13/h4-6,10,15,18H,3,7-9,11-12H2,1-2H3
InChIKeyDCRINSIJERLVQT-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.64
Rot. Bonds5

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

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone (PubChem CID 120735825) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone
PubChem CID120735825
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone
SMILESCCCN(C)CC(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C16H24FN3O/c1-3-8-19(2)12-16(21)20-9-7-18-11-15(20)13-5-4-6-14(17)10-13/h4-6,10,15,18H,3,7-9,11-12H2,1-2H3
InChIKeyDCRINSIJERLVQT-UHFFFAOYSA-N
XLogP1.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone with MolForge

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Related Compounds

2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737496
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 120736864
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
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
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737774
2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 120735854
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 120737844

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone?
The IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone (CID 120735825) is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone.
What is the SMILES notation for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone?
The canonical SMILES for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone is CCCN(C)CC(=O)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone?
The InChIKey is DCRINSIJERLVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-3-8-19(2)12-16(21)20-9-7-18-11-15(20)13-5-4-6-14(17)10-13/h4-6,10,15,18H,3,7-9,11-12H2,1-2H3.
What are the key properties of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone?
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone has a molecular weight of 293.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone is sourced from PubChem (CID 120735825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).