4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine

C22H29FN4O4S — CID 24595663

IUPAC4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(N2CCN(CCCOc3ccc(F)cc3)CC2)nc1)N1CCOCC1
InChIInChI=1S/C22H29FN4O4S/c23-19-2-4-20(5-3-19)31-15-1-8-25-9-11-26(12-10-25)22-7-6-21(18-24-22)32(28,29)27-13-16-30-17-14-27/h2-7,18H,1,8-17H2
InChIKeyAKCLRTAKRAGLBF-UHFFFAOYSA-N
MW464.56 g/mol
LogP1.83
Rot. Bonds8

About 4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine

4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine (PubChem CID 24595663) has the molecular formula C22H29FN4O4S and a molecular weight of 464.56 g/mol. Its IUPAC name is 4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
PubChem CID24595663
Molecular FormulaC22H29FN4O4S
Molecular Weight464.56 g/mol
Exact Mass464.19
IUPAC Name4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(N2CCN(CCCOc3ccc(F)cc3)CC2)nc1)N1CCOCC1
InChIInChI=1S/C22H29FN4O4S/c23-19-2-4-20(5-3-19)31-15-1-8-25-9-11-26(12-10-25)22-7-6-21(18-24-22)32(28,29)27-13-16-30-17-14-27/h2-7,18H,1,8-17H2
InChIKeyAKCLRTAKRAGLBF-UHFFFAOYSA-N
XLogP1.83
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 24595656
(1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol
CID 32605808
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499
4-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9311875
1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine
CID 27634956
4-[[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9186566
4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine
CID 55471571
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 2999407
4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 43039470
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
(2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
CID 7042964

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine (CID 24595663) is 4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine is O=S(=O)(c1ccc(N2CCN(CCCOc3ccc(F)cc3)CC2)nc1)N1CCOCC1.
What is the InChIKey of 4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is AKCLRTAKRAGLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O4S/c23-19-2-4-20(5-3-19)31-15-1-8-25-9-11-26(12-10-25)22-7-6-21(18-24-22)32(28,29)27-13-16-30-17-14-27/h2-7,18H,1,8-17H2.
What are the key properties of 4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 464.56 g/mol, XLogP of 1.83, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 24595663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).