1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione

C17H23N3O2 — CID 2200683

IUPAC1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCN(c2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C17H23N3O2/c21-16(19-9-5-2-6-10-19)17(22)20-13-11-18(12-14-20)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2
InChIKeyZDQISPAYHPRBOJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.35
Rot. Bonds1

About 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione

1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione (PubChem CID 2200683) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
PubChem CID2200683
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCN(c2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C17H23N3O2/c21-16(19-9-5-2-6-10-19)17(22)20-13-11-18(12-14-20)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2
InChIKeyZDQISPAYHPRBOJ-UHFFFAOYSA-N
XLogP1.35
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde
CID 108530923
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
2-oxo-2-(4-phenylpiperazin-1-yl)acetate
CID 2051799
carbamic acid;1-phenylpiperidine
CID 161473217
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363
1-(4-phenylpiperazin-1-yl)butane-1,2-dione
CID 70905363
1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108523573
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 110873765
1-phenylpiperidine;phosphenous acid
CID 174871848
ethane;methanol;1-phenylpiperidine
CID 177175072
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione (CID 2200683) is 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione is O=C(C(=O)N1CCN(c2ccccc2)CC1)N1CCCCC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione?
The InChIKey is ZDQISPAYHPRBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16(19-9-5-2-6-10-19)17(22)20-13-11-18(12-14-20)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione?
1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione has a molecular weight of 301.39 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione is sourced from PubChem (CID 2200683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).