3-methyl-4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazine-2,6-dione

C16H18N2O3 — CID 107127198

IUPAC3-methyl-4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H18N2O3/c1-10-15(20)17-14(19)9-18(10)16(21)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,10,13H,6-9H2,1H3,(H,17,19,20)
InChIKeyDXHXFAICVUIBOD-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.67
Rot. Bonds1

About 3-methyl-4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazine-2,6-dione

3-methyl-4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazine-2,6-dione (PubChem CID 107127198) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-methyl-4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazine-2,6-dione
PubChem CID107127198
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-methyl-4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H18N2O3/c1-10-15(20)17-14(19)9-18(10)16(21)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,10,13H,6-9H2,1H3,(H,17,19,20)
InChIKeyDXHXFAICVUIBOD-UHFFFAOYSA-N
XLogP0.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazine-2,6-dione (CID 107127198) is 3-methyl-4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)C1CCc2ccccc2C1.
What is the InChIKey of 3-methyl-4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazine-2,6-dione?
The InChIKey is DXHXFAICVUIBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-15(20)17-14(19)9-18(10)16(21)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,10,13H,6-9H2,1H3,(H,17,19,20).
What are the key properties of 3-methyl-4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazine-2,6-dione?
3-methyl-4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazine-2,6-dione has a molecular weight of 286.33 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 107127198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).