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

C16H24ClFN3O- — CID 53346983

IUPACN,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
SMILESCCN(CC)C(=O)CN1CCN(c2ccccc2F)CC1.[Cl-]
InChIInChI=1S/C16H24FN3O.ClH/c1-3-19(4-2)16(21)13-18-9-11-20(12-10-18)15-8-6-5-7-14(15)17;/h5-8H,3-4,9-13H2,1-2H3;1H/p-1
InChIKeyRCWYEDZPORZQBR-UHFFFAOYSA-M
MW328.84 g/mol
LogP-1.18
Rot. Bonds5

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

N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride (PubChem CID 53346983) has the molecular formula C16H24ClFN3O- and a molecular weight of 328.84 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
PubChem CID53346983
Molecular FormulaC16H24ClFN3O-
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC NameN,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
SMILESCCN(CC)C(=O)CN1CCN(c2ccccc2F)CC1.[Cl-]
InChIInChI=1S/C16H24FN3O.ClH/c1-3-19(4-2)16(21)13-18-9-11-20(12-10-18)15-8-6-5-7-14(15)17;/h5-8H,3-4,9-13H2,1-2H3;1H/p-1
InChIKeyRCWYEDZPORZQBR-UHFFFAOYSA-M
XLogP-1.18
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 55464520
N,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 78788102
N,N-diethyl-2-[4-[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 55446956
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
CID 51363004
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide
CID 1439313
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
N-(ethylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150301
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide
CID 108998972
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 109004402

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride?
The IUPAC name of N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride (CID 53346983) is N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride.
What is the SMILES notation for N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride?
The canonical SMILES for N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride is CCN(CC)C(=O)CN1CCN(c2ccccc2F)CC1.[Cl-].
What is the InChIKey of N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride?
The InChIKey is RCWYEDZPORZQBR-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H24FN3O.ClH/c1-3-19(4-2)16(21)13-18-9-11-20(12-10-18)15-8-6-5-7-14(15)17;/h5-8H,3-4,9-13H2,1-2H3;1H/p-1.
What are the key properties of N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride?
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride has a molecular weight of 328.84 g/mol, XLogP of -1.18, 5 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)piperazin-1-yl]acetamide chloride is sourced from PubChem (CID 53346983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).