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

C18H20N2O4 — CID 4154822

IUPACethyl N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)carbamate
SMILESCCOC(=O)NC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H20N2O4/c1-2-24-18(23)19-14-15(20-10-6-3-7-11-20)17(22)13-9-5-4-8-12(13)16(14)21/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,19,23)
InChIKeyZXFDQUXUGXPQHN-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.51
Rot. Bonds3

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

ethyl N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)carbamate (PubChem CID 4154822) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)carbamate
PubChem CID4154822
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)carbamate
SMILESCCOC(=O)NC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H20N2O4/c1-2-24-18(23)19-14-15(20-10-6-3-7-11-20)17(22)13-9-5-4-8-12(13)16(14)21/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,19,23)
InChIKeyZXFDQUXUGXPQHN-UHFFFAOYSA-N
XLogP2.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]benzoate
CID 4245334
ethyl 4-[[3-(azepan-1-yl)-1,4-dioxonaphthalen-2-yl]sulfonylamino]benzoate
CID 25043111
ethyl 2-[2,5-bis(aziridin-1-yl)-4-(ethoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]acetate
CID 158513913
N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide
CID 3594745
methane;2-(4-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione
CID 159705780
ethyl 1-[3-[(4-chlorophenyl)sulfonylamino]-1,4-dioxonaphthalen-2-yl]piperidine-4-carboxylate
CID 4587576
2-[4-(diethylamino)anilino]-3-piperidin-1-ylnaphthalene-1,4-dione
CID 40524529
2-(4-chloroanilino)-3-piperidin-1-ylnaphthalene-1,4-dione
CID 2847809
ethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate
CID 13123931
2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione
CID 14692055
N-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
CID 25048727
2-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]anilino]-3-pyrrolidin-1-ylnaphthalene-1,4-dione
CID 5339647

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)carbamate?
The IUPAC name of ethyl N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)carbamate (CID 4154822) is ethyl N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)carbamate.
What is the SMILES notation for ethyl N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)carbamate?
The canonical SMILES for ethyl N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)carbamate is CCOC(=O)NC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O.
What is the InChIKey of ethyl N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)carbamate?
The InChIKey is ZXFDQUXUGXPQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-24-18(23)19-14-15(20-10-6-3-7-11-20)17(22)13-9-5-4-8-12(13)16(14)21/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,19,23).
What are the key properties of ethyl N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)carbamate?
ethyl N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)carbamate has a molecular weight of 328.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)carbamate is sourced from PubChem (CID 4154822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).