N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide

C14H15N3O5 — CID 166695051

IUPACN-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide
SMILESCc1ccc([N+](=O)[O-])cc1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H15N3O5/c1-9-2-3-11(17(21)22)6-10(9)7-16(8-18)12-4-5-13(19)15-14(12)20/h2-3,6,8,12H,4-5,7H2,1H3,(H,15,19,20)
InChIKeyDEWVYCDCBNIDJQ-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.67
Rot. Bonds5

About N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide

N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide (PubChem CID 166695051) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide
PubChem CID166695051
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide
SMILESCc1ccc([N+](=O)[O-])cc1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H15N3O5/c1-9-2-3-11(17(21)22)6-10(9)7-16(8-18)12-4-5-13(19)15-14(12)20/h2-3,6,8,12H,4-5,7H2,1H3,(H,15,19,20)
InChIKeyDEWVYCDCBNIDJQ-UHFFFAOYSA-N
XLogP0.67
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide (CID 166695051) is N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide is Cc1ccc([N+](=O)[O-])cc1CN(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide?
The InChIKey is DEWVYCDCBNIDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-9-2-3-11(17(21)22)6-10(9)7-16(8-18)12-4-5-13(19)15-14(12)20/h2-3,6,8,12H,4-5,7H2,1H3,(H,15,19,20).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide?
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide has a molecular weight of 305.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide is sourced from PubChem (CID 166695051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).