N,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide

C17H26FN3O — CID 78788102

IUPACN,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H26FN3O/c1-3-21(4-2)17(22)14-20-11-9-19(10-12-20)13-15-7-5-6-8-16(15)18/h5-8H,3-4,9-14H2,1-2H3
InChIKeyOCXQWFPHWLUQNQ-UHFFFAOYSA-N
MW307.41 g/mol
LogP1.81
Rot. Bonds6

About N,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide

N,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 78788102) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID78788102
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC NameN,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H26FN3O/c1-3-21(4-2)17(22)14-20-11-9-19(10-12-20)13-15-7-5-6-8-16(15)18/h5-8H,3-4,9-14H2,1-2H3
InChIKeyOCXQWFPHWLUQNQ-UHFFFAOYSA-N
XLogP1.81
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
CID 53346983
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78788101
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide
CID 45207108
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122743
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide
CID 55461829
N,N-diethyl-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582548
2-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
CID 112803331
N,N-diethyl-2-[4-[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 55446956
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide (CID 78788102) is N,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide is CCN(CC)C(=O)CN1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is OCXQWFPHWLUQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O/c1-3-21(4-2)17(22)14-20-11-9-19(10-12-20)13-15-7-5-6-8-16(15)18/h5-8H,3-4,9-14H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 307.41 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 78788102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).