[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]carbamate

C26H28FN5O5 — CID 166074355

IUPAC[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]carbamate
SMILESCC1CCCCN1c1ccc(NC(=O)OCc2cc(F)c3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)cn1
InChIInChI=1S/C26H28FN5O5/c1-15-4-2-3-9-31(15)22-7-5-17(12-28-22)29-26(36)37-14-16-10-18-19(20(27)11-16)13-32(25(18)35)21-6-8-23(33)30-24(21)34/h5,7,10-12,15,21H,2-4,6,8-9,13-14H2,1H3,(H,29,36)(H,30,33,34)
InChIKeyCDDBBSQIMVYSAK-UHFFFAOYSA-N
MW509.54 g/mol
LogP3.11
Rot. Bonds5

About [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]carbamate

[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]carbamate (PubChem CID 166074355) has the molecular formula C26H28FN5O5 and a molecular weight of 509.54 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]carbamate
PubChem CID166074355
Molecular FormulaC26H28FN5O5
Molecular Weight509.54 g/mol
Exact Mass509.21
IUPAC Name[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]carbamate
SMILESCC1CCCCN1c1ccc(NC(=O)OCc2cc(F)c3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)cn1
InChIInChI=1S/C26H28FN5O5/c1-15-4-2-3-9-31(15)22-7-5-17(12-28-22)29-26(36)37-14-16-10-18-19(20(27)11-16)13-32(25(18)35)21-6-8-23(33)30-24(21)34/h5,7,10-12,15,21H,2-4,6,8-9,13-14H2,1H3,(H,29,36)(H,30,33,34)
InChIKeyCDDBBSQIMVYSAK-UHFFFAOYSA-N
XLogP3.11
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.54
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]carbamate?
The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]carbamate (CID 166074355) is [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]carbamate?
The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]carbamate is CC1CCCCN1c1ccc(NC(=O)OCc2cc(F)c3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)cn1.
What is the InChIKey of [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]carbamate?
The InChIKey is CDDBBSQIMVYSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O5/c1-15-4-2-3-9-31(15)22-7-5-17(12-28-22)29-26(36)37-14-16-10-18-19(20(27)11-16)13-32(25(18)35)21-6-8-23(33)30-24(21)34/h5,7,10-12,15,21H,2-4,6,8-9,13-14H2,1H3,(H,29,36)(H,30,33,34).
What are the key properties of [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]carbamate?
[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]carbamate has a molecular weight of 509.54 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 166074355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).