ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid

C22H35F3N4O6 — CID 67577967

IUPACethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)C1CCN(C(=O)CC2CNC(=O)N2CCC2CCNCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H34N4O4.C2HF3O2/c1-2-28-19(26)16-6-10-23(11-7-16)18(25)13-17-14-22-20(27)24(17)12-5-15-3-8-21-9-4-15;3-2(4,5)1(6)7/h15-17,21H,2-14H2,1H3,(H,22,27);(H,6,7)
InChIKeyIYMWFEGOYGKGMK-UHFFFAOYSA-N
MW508.54 g/mol
LogP1.60
Rot. Bonds7

About ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid

ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 67577967) has the molecular formula C22H35F3N4O6 and a molecular weight of 508.54 g/mol. Its IUPAC name is ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID67577967
Molecular FormulaC22H35F3N4O6
Molecular Weight508.54 g/mol
Exact Mass508.25
IUPAC Nameethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)C1CCN(C(=O)CC2CNC(=O)N2CCC2CCNCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H34N4O4.C2HF3O2/c1-2-28-19(26)16-6-10-23(11-7-16)18(25)13-17-14-22-20(27)24(17)12-5-15-3-8-21-9-4-15;3-2(4,5)1(6)7/h15-17,21H,2-14H2,1H3,(H,22,27);(H,6,7)
InChIKeyIYMWFEGOYGKGMK-UHFFFAOYSA-N
XLogP1.60
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.54
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid 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 ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid (CID 67577967) is ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid is CCOC(=O)C1CCN(C(=O)CC2CNC(=O)N2CCC2CCNCC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is IYMWFEGOYGKGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4.C2HF3O2/c1-2-28-19(26)16-6-10-23(11-7-16)18(25)13-17-14-22-20(27)24(17)12-5-15-3-8-21-9-4-15;3-2(4,5)1(6)7/h15-17,21H,2-14H2,1H3,(H,22,27);(H,6,7).
What are the key properties of ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid?
ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 508.54 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67577967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).