1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione

C15H19NO2 — CID 82118297

IUPAC1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
SMILESCc1ccc(C(=O)C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C15H19NO2/c1-11-3-5-13(6-4-11)14(17)15(18)16-9-7-12(2)8-10-16/h3-6,12H,7-10H2,1-2H3
InChIKeyPXEZCTOGSQASKV-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.44
Rot. Bonds2

About 1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione

1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione (PubChem CID 82118297) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
PubChem CID82118297
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
SMILESCc1ccc(C(=O)C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C15H19NO2/c1-11-3-5-13(6-4-11)14(17)15(18)16-9-7-12(2)8-10-16/h3-6,12H,7-10H2,1-2H3
InChIKeyPXEZCTOGSQASKV-UHFFFAOYSA-N
XLogP2.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 82122971
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
N-[(E)-1-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2302588
4-methyl-N-[3-(4-methylpiperidin-1-yl)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1015750
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044864
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3876890
2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82130864
1-(4-methylbenzoyl)piperidine-3,4-dicarboxylic acid
CID 115918184
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione (CID 82118297) is 1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione is Cc1ccc(C(=O)C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione?
The InChIKey is PXEZCTOGSQASKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-3-5-13(6-4-11)14(17)15(18)16-9-7-12(2)8-10-16/h3-6,12H,7-10H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione?
1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione has a molecular weight of 245.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 82118297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).