N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;oxalic acid

C19H28FN3O6 — CID 651794

IUPACN-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;oxalic acid
SMILESCCOCCCNC(=O)CN1CCN(c2ccc(F)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H26FN3O2.C2H2O4/c1-2-23-13-3-8-19-17(22)14-20-9-11-21(12-10-20)16-6-4-15(18)5-7-16;3-1(4)2(5)6/h4-7H,2-3,8-14H2,1H3,(H,19,22);(H,3,4)(H,5,6)
InChIKeyMIBBOHYDDMZVMG-UHFFFAOYSA-N
MW413.45 g/mol
LogP0.65
Rot. Bonds8

About N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;oxalic acid

N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;oxalic acid (PubChem CID 651794) has the molecular formula C19H28FN3O6 and a molecular weight of 413.45 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;oxalic acid.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;oxalic acid
PubChem CID651794
Molecular FormulaC19H28FN3O6
Molecular Weight413.45 g/mol
Exact Mass413.20
IUPAC NameN-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;oxalic acid
SMILESCCOCCCNC(=O)CN1CCN(c2ccc(F)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H26FN3O2.C2H2O4/c1-2-23-13-3-8-19-17(22)14-20-9-11-21(12-10-20)16-6-4-15(18)5-7-16;3-1(4)2(5)6/h4-7H,2-3,8-14H2,1H3,(H,19,22);(H,3,4)(H,5,6)
InChIKeyMIBBOHYDDMZVMG-UHFFFAOYSA-N
XLogP0.65
TPSA119.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;oxalic acid?
The IUPAC name of N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;oxalic acid (CID 651794) is N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;oxalic acid.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;oxalic acid?
The canonical SMILES for N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;oxalic acid is CCOCCCNC(=O)CN1CCN(c2ccc(F)cc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;oxalic acid?
The InChIKey is MIBBOHYDDMZVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2.C2H2O4/c1-2-23-13-3-8-19-17(22)14-20-9-11-21(12-10-20)16-6-4-15(18)5-7-16;3-1(4)2(5)6/h4-7H,2-3,8-14H2,1H3,(H,19,22);(H,3,4)(H,5,6).
What are the key properties of N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;oxalic acid?
N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;oxalic acid has a molecular weight of 413.45 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;oxalic acid is sourced from PubChem (CID 651794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).