2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid

C19H23F3N4O6 — CID 175584631

IUPAC2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CN1CCC(c2ccc(NC3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C17H22N4O4.C2HF3O2/c22-15-4-3-14(17(25)20-15)19-12-1-2-13(18-9-12)11-5-7-21(8-6-11)10-16(23)24;3-2(4,5)1(6)7/h1-2,9,11,14,19H,3-8,10H2,(H,23,24)(H,20,22,25);(H,6,7)
InChIKeyZFMJFLHCTJVBOX-UHFFFAOYSA-N
MW460.41 g/mol
LogP1.20
Rot. Bonds5

About 2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid

2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 175584631) has the molecular formula C19H23F3N4O6 and a molecular weight of 460.41 g/mol. Its IUPAC name is 2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid
PubChem CID175584631
Molecular FormulaC19H23F3N4O6
Molecular Weight460.41 g/mol
Exact Mass460.16
IUPAC Name2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CN1CCC(c2ccc(NC3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C17H22N4O4.C2HF3O2/c22-15-4-3-14(17(25)20-15)19-12-1-2-13(18-9-12)11-5-7-21(8-6-11)10-16(23)24;3-2(4,5)1(6)7/h1-2,9,11,14,19H,3-8,10H2,(H,23,24)(H,20,22,25);(H,6,7)
InChIKeyZFMJFLHCTJVBOX-UHFFFAOYSA-N
XLogP1.20
TPSA148.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]piperidin-1-yl]acetic acid;hydrochloride
CID 175756578
2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid
CID 171108561
2-[4-[2-(difluoromethyl)-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetic acid
CID 156515724
2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid
CID 166899719
2-[(4S)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-3,3-difluoropiperidin-1-yl]acetic acid
CID 166899983
3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione
CID 156515927
(3S)-3-[4-[1-(2-oxo-2-piperazin-1-ylethyl)piperidin-4-yl]anilino]piperidine-2,6-dione
CID 175885718
3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione
CID 166472189
tert-butyl 4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 146523656
3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione
CID 166452945
2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid
CID 166472355
3-[[6-[1-[[4-[4-[4-(aminomethyl)-3-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methyl]piperidin-4-yl]-3-pyridinyl]amino]piperidine-2,6-dione;hydrochloride
CID 170946287

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid (CID 175584631) is 2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)CN1CCC(c2ccc(NC3CCC(=O)NC3=O)cn2)CC1.
What is the InChIKey of 2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is ZFMJFLHCTJVBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4.C2HF3O2/c22-15-4-3-14(17(25)20-15)19-12-1-2-13(18-9-12)11-5-7-21(8-6-11)10-16(23)24;3-2(4,5)1(6)7/h1-2,9,11,14,19H,3-8,10H2,(H,23,24)(H,20,22,25);(H,6,7).
What are the key properties of 2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid?
2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 460.41 g/mol, XLogP of 1.20, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175584631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).