1-(3,4-dimethylphenyl)-2-piperidin-1-ylethane-1,2-dione

C15H19NO2 — CID 82118303

IUPAC1-(3,4-dimethylphenyl)-2-piperidin-1-ylethane-1,2-dione
SMILESCc1ccc(C(=O)C(=O)N2CCCCC2)cc1C
InChIInChI=1S/C15H19NO2/c1-11-6-7-13(10-12(11)2)14(17)15(18)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyNWABDJPSCRDKNA-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.50
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-2-piperidin-1-ylethane-1,2-dione

1-(3,4-dimethylphenyl)-2-piperidin-1-ylethane-1,2-dione (PubChem CID 82118303) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-piperidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-piperidin-1-ylethane-1,2-dione
PubChem CID82118303
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(3,4-dimethylphenyl)-2-piperidin-1-ylethane-1,2-dione
SMILESCc1ccc(C(=O)C(=O)N2CCCCC2)cc1C
InChIInChI=1S/C15H19NO2/c1-11-6-7-13(10-12(11)2)14(17)15(18)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyNWABDJPSCRDKNA-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
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

1-(3,4-dimethylphenyl)-4-piperidin-1-ylbutane-1,4-dione
CID 94282653
1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione
CID 122383489
1-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 82115815
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
1-(azepan-1-yl)-2-pyridin-4-ylethane-1,2-dione
CID 101170129
methyl 1-(3,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 56593212
2-(3,4-dimethylbenzoyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 47052852
(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone
CID 675721
1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041489
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-piperidin-1-ylethane-1,2-dione?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-piperidin-1-ylethane-1,2-dione (CID 82118303) is 1-(3,4-dimethylphenyl)-2-piperidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-piperidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-piperidin-1-ylethane-1,2-dione is Cc1ccc(C(=O)C(=O)N2CCCCC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-piperidin-1-ylethane-1,2-dione?
The InChIKey is NWABDJPSCRDKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-6-7-13(10-12(11)2)14(17)15(18)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-piperidin-1-ylethane-1,2-dione?
1-(3,4-dimethylphenyl)-2-piperidin-1-ylethane-1,2-dione has a molecular weight of 245.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-piperidin-1-ylethane-1,2-dione is sourced from PubChem (CID 82118303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).