2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide

C14H19F2N3O — CID 94435985

IUPAC2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
SMILESC[C@@H](c1ccc(F)cc1F)N1CCN(CC(N)=O)CC1
InChIInChI=1S/C14H19F2N3O/c1-10(12-3-2-11(15)8-13(12)16)19-6-4-18(5-7-19)9-14(17)20/h2-3,8,10H,4-7,9H2,1H3,(H2,17,20)/t10-/m0/s1
InChIKeyIRWOZVHBWYQIHF-JTQLQIEISA-N
MW283.32 g/mol
LogP1.13
Rot. Bonds4

About 2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide

2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide (PubChem CID 94435985) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
PubChem CID94435985
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
SMILESC[C@@H](c1ccc(F)cc1F)N1CCN(CC(N)=O)CC1
InChIInChI=1S/C14H19F2N3O/c1-10(12-3-2-11(15)8-13(12)16)19-6-4-18(5-7-19)9-14(17)20/h2-3,8,10H,4-7,9H2,1H3,(H2,17,20)/t10-/m0/s1
InChIKeyIRWOZVHBWYQIHF-JTQLQIEISA-N
XLogP1.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 56818364
(1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 119877513
(5-amino-2-methylphenyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 120646250
2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide
CID 95582678
1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol
CID 110901948
2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 119877493
3-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119953698
2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119877503
[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 122142183
1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol
CID 111114048
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 46571540
[(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 125146639

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide (CID 94435985) is 2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide is C[C@@H](c1ccc(F)cc1F)N1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide?
The InChIKey is IRWOZVHBWYQIHF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-10(12-3-2-11(15)8-13(12)16)19-6-4-18(5-7-19)9-14(17)20/h2-3,8,10H,4-7,9H2,1H3,(H2,17,20)/t10-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide?
2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 283.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 94435985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).