N,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide

C18H25F3N4O3 — CID 55544001

IUPACN,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1
InChIInChI=1S/C18H25F3N4O3/c1-3-23(4-2)15(26)12-22-8-10-24(11-9-22)16(27)13-25-7-5-6-14(17(25)28)18(19,20)21/h5-7H,3-4,8-13H2,1-2H3
InChIKeyNZVSQKRXCPXTCY-UHFFFAOYSA-N
MW402.42 g/mol
LogP0.88
Rot. Bonds6

About N,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide

N,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide (PubChem CID 55544001) has the molecular formula C18H25F3N4O3 and a molecular weight of 402.42 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide
PubChem CID55544001
Molecular FormulaC18H25F3N4O3
Molecular Weight402.42 g/mol
Exact Mass402.19
IUPAC NameN,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1
InChIInChI=1S/C18H25F3N4O3/c1-3-23(4-2)15(26)12-22-8-10-24(11-9-22)16(27)13-25-7-5-6-14(17(25)28)18(19,20)21/h5-7H,3-4,8-13H2,1-2H3
InChIKeyNZVSQKRXCPXTCY-UHFFFAOYSA-N
XLogP0.88
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide (CID 55544001) is N,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide is CCN(CC)C(=O)CN1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide?
The InChIKey is NZVSQKRXCPXTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O3/c1-3-23(4-2)15(26)12-22-8-10-24(11-9-22)16(27)13-25-7-5-6-14(17(25)28)18(19,20)21/h5-7H,3-4,8-13H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide has a molecular weight of 402.42 g/mol, XLogP of 0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55544001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).