N'-(4-methylphenyl)-N-(6-oxopiperidin-3-yl)oxamide

C14H17N3O3 — CID 62734491

IUPACN'-(4-methylphenyl)-N-(6-oxopiperidin-3-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC2CCC(=O)NC2)cc1
InChIInChI=1S/C14H17N3O3/c1-9-2-4-10(5-3-9)16-13(19)14(20)17-11-6-7-12(18)15-8-11/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyIOUXVZGRSKEOJX-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.33
Rot. Bonds2

About N'-(4-methylphenyl)-N-(6-oxopiperidin-3-yl)oxamide

N'-(4-methylphenyl)-N-(6-oxopiperidin-3-yl)oxamide (PubChem CID 62734491) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N'-(4-methylphenyl)-N-(6-oxopiperidin-3-yl)oxamide.

Molecular Properties

Compound NameN'-(4-methylphenyl)-N-(6-oxopiperidin-3-yl)oxamide
PubChem CID62734491
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN'-(4-methylphenyl)-N-(6-oxopiperidin-3-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC2CCC(=O)NC2)cc1
InChIInChI=1S/C14H17N3O3/c1-9-2-4-10(5-3-9)16-13(19)14(20)17-11-6-7-12(18)15-8-11/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyIOUXVZGRSKEOJX-UHFFFAOYSA-N
XLogP0.33
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)-N-(6-oxopiperidin-3-yl)oxamide?
The IUPAC name of N'-(4-methylphenyl)-N-(6-oxopiperidin-3-yl)oxamide (CID 62734491) is N'-(4-methylphenyl)-N-(6-oxopiperidin-3-yl)oxamide.
What is the SMILES notation for N'-(4-methylphenyl)-N-(6-oxopiperidin-3-yl)oxamide?
The canonical SMILES for N'-(4-methylphenyl)-N-(6-oxopiperidin-3-yl)oxamide is Cc1ccc(NC(=O)C(=O)NC2CCC(=O)NC2)cc1.
What is the InChIKey of N'-(4-methylphenyl)-N-(6-oxopiperidin-3-yl)oxamide?
The InChIKey is IOUXVZGRSKEOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-2-4-10(5-3-9)16-13(19)14(20)17-11-6-7-12(18)15-8-11/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N'-(4-methylphenyl)-N-(6-oxopiperidin-3-yl)oxamide?
N'-(4-methylphenyl)-N-(6-oxopiperidin-3-yl)oxamide has a molecular weight of 275.31 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)-N-(6-oxopiperidin-3-yl)oxamide is sourced from PubChem (CID 62734491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).