2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide

C18H28FN3O3 — CID 3229520

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H28FN3O3/c1-24-13-11-22(12-14-25-2)18(23)15-20-7-9-21(10-8-20)17-5-3-16(19)4-6-17/h3-6H,7-15H2,1-2H3
InChIKeyLEXBMQGJWLNPPY-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.07
Rot. Bonds9

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide (PubChem CID 3229520) has the molecular formula C18H28FN3O3 and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide
PubChem CID3229520
Molecular FormulaC18H28FN3O3
Molecular Weight353.44 g/mol
Exact Mass353.21
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H28FN3O3/c1-24-13-11-22(12-14-25-2)18(23)15-20-7-9-21(10-8-20)17-5-3-16(19)4-6-17/h3-6H,7-15H2,1-2H3
InChIKeyLEXBMQGJWLNPPY-UHFFFAOYSA-N
XLogP1.07
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide (CID 3229520) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide is COCCN(CCOC)C(=O)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide?
The InChIKey is LEXBMQGJWLNPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O3/c1-24-13-11-22(12-14-25-2)18(23)15-20-7-9-21(10-8-20)17-5-3-16(19)4-6-17/h3-6H,7-15H2,1-2H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide has a molecular weight of 353.44 g/mol, XLogP of 1.07, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide is sourced from PubChem (CID 3229520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).