N,N-diethyl-2-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid

C18H26F3N3O3 — CID 66663823

IUPACN,N-diethyl-2-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N3O.C2HF3O2/c1-3-18(4-2)16(20)15(14-8-6-5-7-9-14)19-12-10-17-11-13-19;3-2(4,5)1(6)7/h5-9,15,17H,3-4,10-13H2,1-2H3;(H,6,7)
InChIKeyLVHBTAFOWSYDEP-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.13
Rot. Bonds5

About N,N-diethyl-2-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid

N,N-diethyl-2-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 66663823) has the molecular formula C18H26F3N3O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N,N-diethyl-2-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-diethyl-2-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID66663823
Molecular FormulaC18H26F3N3O3
Molecular Weight389.42 g/mol
Exact Mass389.19
IUPAC NameN,N-diethyl-2-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N3O.C2HF3O2/c1-3-18(4-2)16(20)15(14-8-6-5-7-9-14)19-12-10-17-11-13-19;3-2(4,5)1(6)7/h5-9,15,17H,3-4,10-13H2,1-2H3;(H,6,7)
InChIKeyLVHBTAFOWSYDEP-UHFFFAOYSA-N
XLogP2.13
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-diethyl-2-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid (CID 66663823) is N,N-diethyl-2-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-diethyl-2-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-diethyl-2-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid is CCN(CC)C(=O)C(c1ccccc1)N1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-diethyl-2-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is LVHBTAFOWSYDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.C2HF3O2/c1-3-18(4-2)16(20)15(14-8-6-5-7-9-14)19-12-10-17-11-13-19;3-2(4,5)1(6)7/h5-9,15,17H,3-4,10-13H2,1-2H3;(H,6,7).
What are the key properties of N,N-diethyl-2-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid?
N,N-diethyl-2-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 389.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66663823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).