N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(piperidin-1-ylmethyl)benzamide

C18H22FN3O3 — CID 169097488

IUPACN-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(piperidin-1-ylmethyl)benzamide
SMILESO=C1CCC(NC(=O)c2cccc(CN3CCCCC3)c2F)C(=O)N1
InChIInChI=1S/C18H22FN3O3/c19-16-12(11-22-9-2-1-3-10-22)5-4-6-13(16)17(24)20-14-7-8-15(23)21-18(14)25/h4-6,14H,1-3,7-11H2,(H,20,24)(H,21,23,25)
InChIKeyUDSNAPPRZJKUPY-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.35
Rot. Bonds4

About N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(piperidin-1-ylmethyl)benzamide

N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(piperidin-1-ylmethyl)benzamide (PubChem CID 169097488) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(piperidin-1-ylmethyl)benzamide
PubChem CID169097488
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(piperidin-1-ylmethyl)benzamide
SMILESO=C1CCC(NC(=O)c2cccc(CN3CCCCC3)c2F)C(=O)N1
InChIInChI=1S/C18H22FN3O3/c19-16-12(11-22-9-2-1-3-10-22)5-4-6-13(16)17(24)20-14-7-8-15(23)21-18(14)25/h4-6,14H,1-3,7-11H2,(H,20,24)(H,21,23,25)
InChIKeyUDSNAPPRZJKUPY-UHFFFAOYSA-N
XLogP1.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(morpholin-4-ylmethyl)benzamide
CID 169097482
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
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
tert-butyl 2-[3-[(2,7-dioxoazepan-3-yl)carbamoyl]-2-fluorophenoxy]acetate
CID 171843869
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium
CID 155583990
N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 153384900
1-bromo-N-(2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxamide
CID 158971720
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide
CID 134581835
N-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide
CID 171788521

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(piperidin-1-ylmethyl)benzamide (CID 169097488) is N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(piperidin-1-ylmethyl)benzamide is O=C1CCC(NC(=O)c2cccc(CN3CCCCC3)c2F)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(piperidin-1-ylmethyl)benzamide?
The InChIKey is UDSNAPPRZJKUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c19-16-12(11-22-9-2-1-3-10-22)5-4-6-13(16)17(24)20-14-7-8-15(23)21-18(14)25/h4-6,14H,1-3,7-11H2,(H,20,24)(H,21,23,25).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(piperidin-1-ylmethyl)benzamide?
N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(piperidin-1-ylmethyl)benzamide has a molecular weight of 347.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 169097488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).