3-[(1E)-3-(5,8-dimethylnaphthalen-1-yl)buta-1,3-dienyl]piperidine-2,6-dione

C21H21NO2 — CID 174334542

IUPAC3-[(1E)-3-(5,8-dimethylnaphthalen-1-yl)buta-1,3-dienyl]piperidine-2,6-dione
SMILESC=C(/C=C/C1CCC(=O)NC1=O)c1cccc2c(C)ccc(C)c12
InChIInChI=1S/C21H21NO2/c1-13-7-8-15(3)20-17(13)5-4-6-18(20)14(2)9-10-16-11-12-19(23)22-21(16)24/h4-10,16H,2,11-12H2,1,3H3,(H,22,23,24)/b10-9+
InChIKeyBXKWJBLBJAEHOD-MDZDMXLPSA-N
MW319.40 g/mol
LogP4.08
Rot. Bonds3

About 3-[(1E)-3-(5,8-dimethylnaphthalen-1-yl)buta-1,3-dienyl]piperidine-2,6-dione

3-[(1E)-3-(5,8-dimethylnaphthalen-1-yl)buta-1,3-dienyl]piperidine-2,6-dione (PubChem CID 174334542) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-[(1E)-3-(5,8-dimethylnaphthalen-1-yl)buta-1,3-dienyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(1E)-3-(5,8-dimethylnaphthalen-1-yl)buta-1,3-dienyl]piperidine-2,6-dione
PubChem CID174334542
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name3-[(1E)-3-(5,8-dimethylnaphthalen-1-yl)buta-1,3-dienyl]piperidine-2,6-dione
SMILESC=C(/C=C/C1CCC(=O)NC1=O)c1cccc2c(C)ccc(C)c12
InChIInChI=1S/C21H21NO2/c1-13-7-8-15(3)20-17(13)5-4-6-18(20)14(2)9-10-16-11-12-19(23)22-21(16)24/h4-10,16H,2,11-12H2,1,3H3,(H,22,23,24)/b10-9+
InChIKeyBXKWJBLBJAEHOD-MDZDMXLPSA-N
XLogP4.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-3-(5,8-dimethylnaphthalen-1-yl)-3-hydroxyprop-1-enyl]piperidine-2,6-dione
CID 174331198
N-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide
CID 163259167
3-(6-methyl-1,3-dimethylidenebenzo[de]isoquinolin-2-yl)-6-methylidenepiperidin-2-one
CID 171106473
2-[3-acetyl-2-[(E)-3-(2,6-dioxopiperidin-3-yl)prop-2-enyl]phenoxy]acetic acid
CID 167470393
3-[(E)-3-(2-acetyl-5-methylphenyl)prop-1-enyl]piperidine-2,6-dione
CID 174329889
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane
CID 163374446
3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione
CID 167071398
3-(4-methylindol-1-yl)piperidine-2,6-dione
CID 167418675
3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 142616477
4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde
CID 144720228
ethane;3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 156795243
3-[(E)-3-(2-acetyl-4-bromophenyl)prop-1-enyl]piperidine-2,6-dione
CID 155036665

Frequently Asked Questions

What is the IUPAC name of 3-[(1E)-3-(5,8-dimethylnaphthalen-1-yl)buta-1,3-dienyl]piperidine-2,6-dione?
The IUPAC name of 3-[(1E)-3-(5,8-dimethylnaphthalen-1-yl)buta-1,3-dienyl]piperidine-2,6-dione (CID 174334542) is 3-[(1E)-3-(5,8-dimethylnaphthalen-1-yl)buta-1,3-dienyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(1E)-3-(5,8-dimethylnaphthalen-1-yl)buta-1,3-dienyl]piperidine-2,6-dione?
The canonical SMILES for 3-[(1E)-3-(5,8-dimethylnaphthalen-1-yl)buta-1,3-dienyl]piperidine-2,6-dione is C=C(/C=C/C1CCC(=O)NC1=O)c1cccc2c(C)ccc(C)c12.
What is the InChIKey of 3-[(1E)-3-(5,8-dimethylnaphthalen-1-yl)buta-1,3-dienyl]piperidine-2,6-dione?
The InChIKey is BXKWJBLBJAEHOD-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H21NO2/c1-13-7-8-15(3)20-17(13)5-4-6-18(20)14(2)9-10-16-11-12-19(23)22-21(16)24/h4-10,16H,2,11-12H2,1,3H3,(H,22,23,24)/b10-9+.
What are the key properties of 3-[(1E)-3-(5,8-dimethylnaphthalen-1-yl)buta-1,3-dienyl]piperidine-2,6-dione?
3-[(1E)-3-(5,8-dimethylnaphthalen-1-yl)buta-1,3-dienyl]piperidine-2,6-dione has a molecular weight of 319.40 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E)-3-(5,8-dimethylnaphthalen-1-yl)buta-1,3-dienyl]piperidine-2,6-dione is sourced from PubChem (CID 174334542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).