[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium

C12H13FN3O3+ — CID 155583990

IUPAC[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium
SMILES[NH3+]c1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C12H12FN3O3/c13-8-5-6(14)1-2-7(8)11(18)15-9-3-4-10(17)16-12(9)19/h1-2,5,9H,3-4,14H2,(H,15,18)(H,16,17,19)/p+1/t9-/m0/s1
InChIKeyPDXLABFIWQGDLW-VIFPVBQESA-O
MW266.25 g/mol
LogP-0.77
Rot. Bonds2

About [4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium

[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium (PubChem CID 155583990) has the molecular formula C12H13FN3O3+ and a molecular weight of 266.25 g/mol. Its IUPAC name is [4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium.

Molecular Properties

Compound Name[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium
PubChem CID155583990
Molecular FormulaC12H13FN3O3+
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium
SMILES[NH3+]c1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C12H12FN3O3/c13-8-5-6(14)1-2-7(8)11(18)15-9-3-4-10(17)16-12(9)19/h1-2,5,9H,3-4,14H2,(H,15,18)(H,16,17,19)/p+1/t9-/m0/s1
InChIKeyPDXLABFIWQGDLW-VIFPVBQESA-O
XLogP-0.77
TPSA102.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane
CID 170749929
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide
CID 134581835
N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 171626777
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 175975873
5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide
CID 103296597
4-chloro-N-[(3R)-2,6-dioxopiperidin-3-yl]benzamide
CID 2363882
2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide
CID 106686964
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285163
N-(2,6-dioxopiperidin-3-yl)-5-fluoropyridine-3-carboxamide
CID 115747901
N-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide
CID 171788521

Frequently Asked Questions

What is the IUPAC name of [4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium?
The IUPAC name of [4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium (CID 155583990) is [4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium.
What is the SMILES notation for [4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium?
The canonical SMILES for [4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium is [NH3+]c1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)c(F)c1.
What is the InChIKey of [4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium?
The InChIKey is PDXLABFIWQGDLW-VIFPVBQESA-O. The full InChI is InChI=1S/C12H12FN3O3/c13-8-5-6(14)1-2-7(8)11(18)15-9-3-4-10(17)16-12(9)19/h1-2,5,9H,3-4,14H2,(H,15,18)(H,16,17,19)/p+1/t9-/m0/s1.
What are the key properties of [4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium?
[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium has a molecular weight of 266.25 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium is sourced from PubChem (CID 155583990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).