N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(morpholin-4-ylmethyl)benzamide

C17H20FN3O4 — CID 169097482

IUPACN-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(morpholin-4-ylmethyl)benzamide
SMILESO=C1CCC(NC(=O)c2cccc(CN3CCOCC3)c2F)C(=O)N1
InChIInChI=1S/C17H20FN3O4/c18-15-11(10-21-6-8-25-9-7-21)2-1-3-12(15)16(23)19-13-4-5-14(22)20-17(13)24/h1-3,13H,4-10H2,(H,19,23)(H,20,22,24)
InChIKeyJQIWXIQIOUHWJM-UHFFFAOYSA-N
MW349.36 g/mol
LogP0.19
Rot. Bonds4

About N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(morpholin-4-ylmethyl)benzamide

N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(morpholin-4-ylmethyl)benzamide (PubChem CID 169097482) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(morpholin-4-ylmethyl)benzamide
PubChem CID169097482
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(morpholin-4-ylmethyl)benzamide
SMILESO=C1CCC(NC(=O)c2cccc(CN3CCOCC3)c2F)C(=O)N1
InChIInChI=1S/C17H20FN3O4/c18-15-11(10-21-6-8-25-9-7-21)2-1-3-12(15)16(23)19-13-4-5-14(22)20-17(13)24/h1-3,13H,4-10H2,(H,19,23)(H,20,22,24)
InChIKeyJQIWXIQIOUHWJM-UHFFFAOYSA-N
XLogP0.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-(piperidin-1-ylmethyl)benzamide
CID 169097488
N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-[(3-oxothiomorpholin-4-yl)methyl]benzamide
CID 169097487
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
3-[(3Z,4E)-3-(1,2-dihydroxyprop-2-enylidene)-4-[[[2-fluoro-3-(morpholin-4-ylmethyl)phenyl]methylamino]-hydroxymethylidene]-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
CID 145070909
N-(2,6-dioxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]pyridine-2-carboxamide
CID 153384923
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide
CID 106686964
[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium
CID 155583990
tert-butyl 2-[3-[(2,7-dioxoazepan-3-yl)carbamoyl]-2-fluorophenoxy]acetate
CID 171843869
N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 153384900

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(morpholin-4-ylmethyl)benzamide (CID 169097482) is N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(morpholin-4-ylmethyl)benzamide is O=C1CCC(NC(=O)c2cccc(CN3CCOCC3)c2F)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(morpholin-4-ylmethyl)benzamide?
The InChIKey is JQIWXIQIOUHWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4/c18-15-11(10-21-6-8-25-9-7-21)2-1-3-12(15)16(23)19-13-4-5-14(22)20-17(13)24/h1-3,13H,4-10H2,(H,19,23)(H,20,22,24).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(morpholin-4-ylmethyl)benzamide?
N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(morpholin-4-ylmethyl)benzamide has a molecular weight of 349.36 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 169097482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).