3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione

C19H27N3O2 — CID 178116151

IUPAC3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione
SMILESCCC(C)N1CCN(c2ccc(C3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C19H27N3O2/c1-3-14(2)21-10-12-22(13-11-21)16-6-4-15(5-7-16)17-8-9-18(23)20-19(17)24/h4-7,14,17H,3,8-13H2,1-2H3,(H,20,23,24)
InChIKeyKGUKCLMORZRSJS-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.13
Rot. Bonds4

About 3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione

3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione (PubChem CID 178116151) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione
PubChem CID178116151
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione
SMILESCCC(C)N1CCN(c2ccc(C3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C19H27N3O2/c1-3-14(2)21-10-12-22(13-11-21)16-6-4-15(5-7-16)17-8-9-18(23)20-19(17)24/h4-7,14,17H,3,8-13H2,1-2H3,(H,20,23,24)
InChIKeyKGUKCLMORZRSJS-UHFFFAOYSA-N
XLogP2.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.13
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 3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione (CID 178116151) is 3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione is CCC(C)N1CCN(c2ccc(C3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of 3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione?
The InChIKey is KGUKCLMORZRSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-14(2)21-10-12-22(13-11-21)16-6-4-15(5-7-16)17-8-9-18(23)20-19(17)24/h4-7,14,17H,3,8-13H2,1-2H3,(H,20,23,24).
What are the key properties of 3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione?
3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione has a molecular weight of 329.44 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 178116151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).