2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid

C18H22FN3O4 — CID 175548556

IUPAC2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid
SMILESNc1c(C2CCC(=O)NC2=O)ccc(C2CCN(CC(=O)O)CC2)c1F
InChIInChI=1S/C18H22FN3O4/c19-16-11(10-5-7-22(8-6-10)9-15(24)25)1-2-12(17(16)20)13-3-4-14(23)21-18(13)26/h1-2,10,13H,3-9,20H2,(H,24,25)(H,21,23,26)
InChIKeyUYTMLZHPTRYDNI-UHFFFAOYSA-N
MW363.39 g/mol
LogP1.19
Rot. Bonds4

About 2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid

2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid (PubChem CID 175548556) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid
PubChem CID175548556
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Name2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid
SMILESNc1c(C2CCC(=O)NC2=O)ccc(C2CCN(CC(=O)O)CC2)c1F
InChIInChI=1S/C18H22FN3O4/c19-16-11(10-5-7-22(8-6-10)9-15(24)25)1-2-12(17(16)20)13-3-4-14(23)21-18(13)26/h1-2,10,13H,3-9,20H2,(H,24,25)(H,21,23,26)
InChIKeyUYTMLZHPTRYDNI-UHFFFAOYSA-N
XLogP1.19
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid
CID 166472394
2-[4-[2-(difluoromethyl)-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetic acid
CID 156515724
2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid
CID 156798431
CID 166168961
CID 166168961
2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]piperidin-1-yl]acetic acid;hydrochloride
CID 175756578
(3S)-3-[4-[1-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-4-yl]-2,3-difluoroanilino]piperidine-2,6-dione
CID 175831310
2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid
CID 166900322
2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid
CID 167237711
2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid
CID 171108561
3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 170953722
2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 175584631
3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione
CID 170184885

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid (CID 175548556) is 2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid is Nc1c(C2CCC(=O)NC2=O)ccc(C2CCN(CC(=O)O)CC2)c1F.
What is the InChIKey of 2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid?
The InChIKey is UYTMLZHPTRYDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4/c19-16-11(10-5-7-22(8-6-10)9-15(24)25)1-2-12(17(16)20)13-3-4-14(23)21-18(13)26/h1-2,10,13H,3-9,20H2,(H,24,25)(H,21,23,26).
What are the key properties of 2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid?
2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid has a molecular weight of 363.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 175548556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).