N-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide

C14H19F2N3O — CID 82820113

IUPACN-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide
SMILESCc1ccc(F)c(NC(=O)C(C)N2CCNCC2)c1F
InChIInChI=1S/C14H19F2N3O/c1-9-3-4-11(15)13(12(9)16)18-14(20)10(2)19-7-5-17-6-8-19/h3-4,10,17H,5-8H2,1-2H3,(H,18,20)
InChIKeyHDTJYJSNIFSNLG-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.51
Rot. Bonds3

About N-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide

N-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide (PubChem CID 82820113) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is N-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide
PubChem CID82820113
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC NameN-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide
SMILESCc1ccc(F)c(NC(=O)C(C)N2CCNCC2)c1F
InChIInChI=1S/C14H19F2N3O/c1-9-3-4-11(15)13(12(9)16)18-14(20)10(2)19-7-5-17-6-8-19/h3-4,10,17H,5-8H2,1-2H3,(H,18,20)
InChIKeyHDTJYJSNIFSNLG-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583
N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide
CID 43806210
N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide
CID 43130569
N-(2,6-difluoro-3-methylphenyl)-2-(methylamino)propanamide
CID 82818428
(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 28507016
(2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460053
N-(4-aminophenyl)-2-piperazin-1-ylpropanamide
CID 82224554
N-(4-bromophenyl)-2-piperazin-1-ylpropanamide
CID 43089557
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431500
N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 82818995
N-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide
CID 107626960
N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide
CID 43130677

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide (CID 82820113) is N-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide is Cc1ccc(F)c(NC(=O)C(C)N2CCNCC2)c1F.
What is the InChIKey of N-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide?
The InChIKey is HDTJYJSNIFSNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-9-3-4-11(15)13(12(9)16)18-14(20)10(2)19-7-5-17-6-8-19/h3-4,10,17H,5-8H2,1-2H3,(H,18,20).
What are the key properties of N-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide?
N-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide has a molecular weight of 283.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 82820113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).