1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethane-1,2-dione

C19H26ClN3O2 — CID 108524936

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethane-1,2-dione
SMILESCC1CCCC(C)N1C(=O)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H26ClN3O2/c1-14-5-3-6-15(2)23(14)19(25)18(24)22-11-9-21(10-12-22)17-8-4-7-16(20)13-17/h4,7-8,13-15H,3,5-6,9-12H2,1-2H3
InChIKeyJELWAVLAZBMGQH-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.78
Rot. Bonds1

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethane-1,2-dione

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethane-1,2-dione (PubChem CID 108524936) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethane-1,2-dione
PubChem CID108524936
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethane-1,2-dione
SMILESCC1CCCC(C)N1C(=O)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H26ClN3O2/c1-14-5-3-6-15(2)23(14)19(25)18(24)22-11-9-21(10-12-22)17-8-4-7-16(20)13-17/h4,7-8,13-15H,3,5-6,9-12H2,1-2H3
InChIKeyJELWAVLAZBMGQH-UHFFFAOYSA-N
XLogP2.78
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.78
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-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)propane-1,3-dione
CID 108965472
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108530906
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 96588891
N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108516493
4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide
CID 41355861
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide
CID 108518852
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethane-1,2-dione (CID 108524936) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethane-1,2-dione is CC1CCCC(C)N1C(=O)C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethane-1,2-dione?
The InChIKey is JELWAVLAZBMGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-14-5-3-6-15(2)23(14)19(25)18(24)22-11-9-21(10-12-22)17-8-4-7-16(20)13-17/h4,7-8,13-15H,3,5-6,9-12H2,1-2H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethane-1,2-dione?
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethane-1,2-dione has a molecular weight of 363.89 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 108524936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).