N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide

C13H14N2O4 — CID 175838749

IUPACN-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N[C@H]1CCC(=O)NC1=O
InChIInChI=1S/C13H14N2O4/c1-19-10-5-3-2-4-8(10)12(17)14-9-6-7-11(16)15-13(9)18/h2-5,9H,6-7H2,1H3,(H,14,17)(H,15,16,18)/t9-/m0/s1
InChIKeyTUSFLMOPPKOJFD-VIFPVBQESA-N
MW262.26 g/mol
LogP0.23
Rot. Bonds3

About N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide

N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide (PubChem CID 175838749) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
PubChem CID175838749
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC NameN-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N[C@H]1CCC(=O)NC1=O
InChIInChI=1S/C13H14N2O4/c1-19-10-5-3-2-4-8(10)12(17)14-9-6-7-11(16)15-13(9)18/h2-5,9H,6-7H2,1H3,(H,14,17)(H,15,16,18)/t9-/m0/s1
InChIKeyTUSFLMOPPKOJFD-VIFPVBQESA-N
XLogP0.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.23
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-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide
CID 156551077
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 146129250
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methyl-3H-indole-7-carboxamide
CID 174330620
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285163
N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide
CID 156745010
N-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide
CID 171788521
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate
CID 146129215
2-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)pyridine-3-carboxamide
CID 110475174

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide (CID 175838749) is N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)N[C@H]1CCC(=O)NC1=O.
What is the InChIKey of N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide?
The InChIKey is TUSFLMOPPKOJFD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14N2O4/c1-19-10-5-3-2-4-8(10)12(17)14-9-6-7-11(16)15-13(9)18/h2-5,9H,6-7H2,1H3,(H,14,17)(H,15,16,18)/t9-/m0/s1.
What are the key properties of N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide?
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide has a molecular weight of 262.26 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 175838749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).