4-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]morpholine-3,5-dione

C23H28N4O3 — CID 14371235

IUPAC4-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CCCCN1CCN(c2ncccc2-c2ccccc2)CC1
InChIInChI=1S/C23H28N4O3/c28-21-17-30-18-22(29)27(21)12-5-4-11-25-13-15-26(16-14-25)23-20(9-6-10-24-23)19-7-2-1-3-8-19/h1-3,6-10H,4-5,11-18H2
InChIKeyZYEYMMNRQTZSCP-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.04
Rot. Bonds7

About 4-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]morpholine-3,5-dione

4-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]morpholine-3,5-dione (PubChem CID 14371235) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]morpholine-3,5-dione
PubChem CID14371235
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name4-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CCCCN1CCN(c2ncccc2-c2ccccc2)CC1
InChIInChI=1S/C23H28N4O3/c28-21-17-30-18-22(29)27(21)12-5-4-11-25-13-15-26(16-14-25)23-20(9-6-10-24-23)19-7-2-1-3-8-19/h1-3,6-10H,4-5,11-18H2
InChIKeyZYEYMMNRQTZSCP-UHFFFAOYSA-N
XLogP2.04
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]morpholine-3,5-dione?
The IUPAC name of 4-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]morpholine-3,5-dione (CID 14371235) is 4-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]morpholine-3,5-dione?
The canonical SMILES for 4-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]morpholine-3,5-dione is O=C1COCC(=O)N1CCCCN1CCN(c2ncccc2-c2ccccc2)CC1.
What is the InChIKey of 4-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]morpholine-3,5-dione?
The InChIKey is ZYEYMMNRQTZSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c28-21-17-30-18-22(29)27(21)12-5-4-11-25-13-15-26(16-14-25)23-20(9-6-10-24-23)19-7-2-1-3-8-19/h1-3,6-10H,4-5,11-18H2.
What are the key properties of 4-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]morpholine-3,5-dione?
4-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]morpholine-3,5-dione has a molecular weight of 408.50 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]morpholine-3,5-dione is sourced from PubChem (CID 14371235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).