3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide

C14H20FN3O — CID 114831921

IUPAC3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(Cc1ccccc1F)(C(N)=O)N1CCNCC1
InChIInChI=1S/C14H20FN3O/c1-14(13(16)19,18-8-6-17-7-9-18)10-11-4-2-3-5-12(11)15/h2-5,17H,6-10H2,1H3,(H2,16,19)
InChIKeyZIJHJHJPPWGUNM-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.52
Rot. Bonds4

About 3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide

3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 114831921) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID114831921
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(Cc1ccccc1F)(C(N)=O)N1CCNCC1
InChIInChI=1S/C14H20FN3O/c1-14(13(16)19,18-8-6-17-7-9-18)10-11-4-2-3-5-12(11)15/h2-5,17H,6-10H2,1H3,(H2,16,19)
InChIKeyZIJHJHJPPWGUNM-UHFFFAOYSA-N
XLogP0.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 60996901
1-(1,4-diazepan-1-yl)-3-(2-fluorophenyl)-2,2-dimethylpropan-1-one
CID 95482289
2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide
CID 54891219
2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid
CID 82239792
1-(2-fluorophenyl)-3-methyl-3-piperazin-1-ylbutan-1-one
CID 116924095
ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate
CID 61002272
1-(2-fluorophenyl)-2-piperidin-4-ylpropan-2-ol
CID 105499385
ethyl 3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoate
CID 114832094
2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831966
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
tert-butyl (2S)-3-(2,3-difluorophenyl)-2-piperazin-1-ylpropanoate
CID 126559646
1-(1,4-diazepan-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-one;hydrochloride
CID 119418204

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of 3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide (CID 114831921) is 3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for 3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide is CC(Cc1ccccc1F)(C(N)=O)N1CCNCC1.
What is the InChIKey of 3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is ZIJHJHJPPWGUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-14(13(16)19,18-8-6-17-7-9-18)10-11-4-2-3-5-12(11)15/h2-5,17H,6-10H2,1H3,(H2,16,19).
What are the key properties of 3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide?
3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 265.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 114831921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).