4-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-pyridinyl]morpholine

C20H26N4O4S — CID 2738755

IUPAC4-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-pyridinyl]morpholine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(N4CCOCC4)nc3)CC2)cc1
InChIInChI=1S/C20H26N4O4S/c1-27-18-4-2-17(3-5-18)22-8-10-24(11-9-22)29(25,26)19-6-7-20(21-16-19)23-12-14-28-15-13-23/h2-7,16H,8-15H2,1H3
InChIKeyWHADODHUGDBCCV-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.44
Rot. Bonds5

About 4-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-pyridinyl]morpholine

4-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-pyridinyl]morpholine (PubChem CID 2738755) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-pyridinyl]morpholine
PubChem CID2738755
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name4-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-pyridinyl]morpholine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(N4CCOCC4)nc3)CC2)cc1
InChIInChI=1S/C20H26N4O4S/c1-27-18-4-2-17(3-5-18)22-8-10-24(11-9-22)29(25,26)19-6-7-20(21-16-19)23-12-14-28-15-13-23/h2-7,16H,8-15H2,1H3
InChIKeyWHADODHUGDBCCV-UHFFFAOYSA-N
XLogP1.44
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-pyridinyl]morpholine (CID 2738755) is 4-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-pyridinyl]morpholine is COc1ccc(N2CCN(S(=O)(=O)c3ccc(N4CCOCC4)nc3)CC2)cc1.
What is the InChIKey of 4-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-pyridinyl]morpholine?
The InChIKey is WHADODHUGDBCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-27-18-4-2-17(3-5-18)22-8-10-24(11-9-22)29(25,26)19-6-7-20(21-16-19)23-12-14-28-15-13-23/h2-7,16H,8-15H2,1H3.
What are the key properties of 4-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-pyridinyl]morpholine?
4-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-pyridinyl]morpholine has a molecular weight of 418.52 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-pyridinyl]morpholine is sourced from PubChem (CID 2738755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).