2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methoxy-N-methylacetamide

C16H24FN3O2 — CID 54288114

IUPAC2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CN1CCN(Cc2cccc(CF)c2)CC1
InChIInChI=1S/C16H24FN3O2/c1-18(22-2)16(21)13-20-8-6-19(7-9-20)12-15-5-3-4-14(10-15)11-17/h3-5,10H,6-9,11-13H2,1-2H3
InChIKeyRVPFOYIPYAGMPJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.29
Rot. Bonds6

About 2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methoxy-N-methylacetamide

2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methoxy-N-methylacetamide (PubChem CID 54288114) has the molecular formula C16H24FN3O2 and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methoxy-N-methylacetamide
PubChem CID54288114
Molecular FormulaC16H24FN3O2
Molecular Weight309.39 g/mol
Exact Mass309.19
IUPAC Name2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CN1CCN(Cc2cccc(CF)c2)CC1
InChIInChI=1S/C16H24FN3O2/c1-18(22-2)16(21)13-20-8-6-19(7-9-20)12-15-5-3-4-14(10-15)11-17/h3-5,10H,6-9,11-13H2,1-2H3
InChIKeyRVPFOYIPYAGMPJ-UHFFFAOYSA-N
XLogP1.29
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 54306558
N-(furan-2-ylmethyl)-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 78793293
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
1-[3-(fluoromethyl)phenyl]-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 118460867
ethyl 2-[4-[(3-aminophenyl)methyl]piperazin-1-yl]acetate
CID 22330214
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8597756
N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8597726
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8599621
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 9129867
2-(4-benzylpiperazin-1-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 30863225
2-[4-[[3-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 135987102
3-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]methyl]benzoic acid
CID 87689236

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methoxy-N-methylacetamide?
The IUPAC name of 2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methoxy-N-methylacetamide (CID 54288114) is 2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methoxy-N-methylacetamide is CON(C)C(=O)CN1CCN(Cc2cccc(CF)c2)CC1.
What is the InChIKey of 2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methoxy-N-methylacetamide?
The InChIKey is RVPFOYIPYAGMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-18(22-2)16(21)13-20-8-6-19(7-9-20)12-15-5-3-4-14(10-15)11-17/h3-5,10H,6-9,11-13H2,1-2H3.
What are the key properties of 2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methoxy-N-methylacetamide?
2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methoxy-N-methylacetamide has a molecular weight of 309.39 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methoxy-N-methylacetamide is sourced from PubChem (CID 54288114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).