1-methyl-4-(4-piperidin-4-ylphenyl)piperazine-2,6-dione

C16H21N3O2 — CID 117463885

IUPAC1-methyl-4-(4-piperidin-4-ylphenyl)piperazine-2,6-dione
SMILESCN1C(=O)CN(c2ccc(C3CCNCC3)cc2)CC1=O
InChIInChI=1S/C16H21N3O2/c1-18-15(20)10-19(11-16(18)21)14-4-2-12(3-5-14)13-6-8-17-9-7-13/h2-5,13,17H,6-11H2,1H3
InChIKeyDYTHMGUMEUAVPT-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.96
Rot. Bonds2

About 1-methyl-4-(4-piperidin-4-ylphenyl)piperazine-2,6-dione

1-methyl-4-(4-piperidin-4-ylphenyl)piperazine-2,6-dione (PubChem CID 117463885) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-methyl-4-(4-piperidin-4-ylphenyl)piperazine-2,6-dione.

Molecular Properties

Compound Name1-methyl-4-(4-piperidin-4-ylphenyl)piperazine-2,6-dione
PubChem CID117463885
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-methyl-4-(4-piperidin-4-ylphenyl)piperazine-2,6-dione
SMILESCN1C(=O)CN(c2ccc(C3CCNCC3)cc2)CC1=O
InChIInChI=1S/C16H21N3O2/c1-18-15(20)10-19(11-16(18)21)14-4-2-12(3-5-14)13-6-8-17-9-7-13/h2-5,13,17H,6-11H2,1H3
InChIKeyDYTHMGUMEUAVPT-UHFFFAOYSA-N
XLogP0.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-piperidin-4-ylphenyl)piperazine-2,6-dione?
The IUPAC name of 1-methyl-4-(4-piperidin-4-ylphenyl)piperazine-2,6-dione (CID 117463885) is 1-methyl-4-(4-piperidin-4-ylphenyl)piperazine-2,6-dione.
What is the SMILES notation for 1-methyl-4-(4-piperidin-4-ylphenyl)piperazine-2,6-dione?
The canonical SMILES for 1-methyl-4-(4-piperidin-4-ylphenyl)piperazine-2,6-dione is CN1C(=O)CN(c2ccc(C3CCNCC3)cc2)CC1=O.
What is the InChIKey of 1-methyl-4-(4-piperidin-4-ylphenyl)piperazine-2,6-dione?
The InChIKey is DYTHMGUMEUAVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-15(20)10-19(11-16(18)21)14-4-2-12(3-5-14)13-6-8-17-9-7-13/h2-5,13,17H,6-11H2,1H3.
What are the key properties of 1-methyl-4-(4-piperidin-4-ylphenyl)piperazine-2,6-dione?
1-methyl-4-(4-piperidin-4-ylphenyl)piperazine-2,6-dione has a molecular weight of 287.36 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-piperidin-4-ylphenyl)piperazine-2,6-dione is sourced from PubChem (CID 117463885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).