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

C16H25ClFN3O — CID 6603043

IUPACN,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
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
InChIKeyRCWYEDZPORZQBR-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.24
Rot. Bonds5

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

N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 6603043) has the molecular formula C16H25ClFN3O and a molecular weight of 329.85 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID6603043
Molecular FormulaC16H25ClFN3O
Molecular Weight329.85 g/mol
Exact Mass329.17
IUPAC NameN,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
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
InChIKeyRCWYEDZPORZQBR-UHFFFAOYSA-N
XLogP2.24
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride (CID 6603043) is N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride 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;hydrochloride?
The InChIKey is RCWYEDZPORZQBR-UHFFFAOYSA-N. 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.
What are the key properties of N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 329.85 g/mol, XLogP of 2.24, 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;hydrochloride is sourced from PubChem (CID 6603043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).