N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-methylacetamide

C18H20N2O3 — CID 2854727

IUPACN-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H20N2O3/c1-12(21)19(2)15-16(20-10-6-3-7-11-20)18(23)14-9-5-4-8-13(14)17(15)22/h4-5,8-9H,3,6-7,10-11H2,1-2H3
InChIKeyFYIHPOWCBOTWCT-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.24
Rot. Bonds2

About N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-methylacetamide

N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-methylacetamide (PubChem CID 2854727) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-methylacetamide
PubChem CID2854727
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H20N2O3/c1-12(21)19(2)15-16(20-10-6-3-7-11-20)18(23)14-9-5-4-8-13(14)17(15)22/h4-5,8-9H,3,6-7,10-11H2,1-2H3
InChIKeyFYIHPOWCBOTWCT-UHFFFAOYSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-methylacetamide?
The IUPAC name of N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-methylacetamide (CID 2854727) is N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-methylacetamide?
The canonical SMILES for N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-methylacetamide is CC(=O)N(C)C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-methylacetamide?
The InChIKey is FYIHPOWCBOTWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(21)19(2)15-16(20-10-6-3-7-11-20)18(23)14-9-5-4-8-13(14)17(15)22/h4-5,8-9H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-methylacetamide?
N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-methylacetamide has a molecular weight of 312.37 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-methylacetamide is sourced from PubChem (CID 2854727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).