1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione

C20H29N3O2 — CID 108520633

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
SMILESCc1cccc(N2CCN(C(=O)C(=O)N3CC(C)CC(C)C3)CC2)c1
InChIInChI=1S/C20H29N3O2/c1-15-5-4-6-18(12-15)21-7-9-22(10-8-21)19(24)20(25)23-13-16(2)11-17(3)14-23/h4-6,12,16-17H,7-11,13-14H2,1-3H3
InChIKeyJWCYRSJLLHNLIS-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.15
Rot. Bonds1

About 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione

1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione (PubChem CID 108520633) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
PubChem CID108520633
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
SMILESCc1cccc(N2CCN(C(=O)C(=O)N3CC(C)CC(C)C3)CC2)c1
InChIInChI=1S/C20H29N3O2/c1-15-5-4-6-18(12-15)21-7-9-22(10-8-21)19(24)20(25)23-13-16(2)11-17(3)14-23/h4-6,12,16-17H,7-11,13-14H2,1-3H3
InChIKeyJWCYRSJLLHNLIS-UHFFFAOYSA-N
XLogP2.15
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131849
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108985960
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 24697448
N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515725
N-cyclopentyl-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108506027
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone
CID 109004012
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
[4-(3-methylphenyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109133316
4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde
CID 108988584

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione (CID 108520633) is 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione is Cc1cccc(N2CCN(C(=O)C(=O)N3CC(C)CC(C)C3)CC2)c1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione?
The InChIKey is JWCYRSJLLHNLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-5-4-6-18(12-15)21-7-9-22(10-8-21)19(24)20(25)23-13-16(2)11-17(3)14-23/h4-6,12,16-17H,7-11,13-14H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione?
1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione has a molecular weight of 343.47 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 108520633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).