4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine

C23H32N4O4S — CID 24595656

IUPAC4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
SMILESCc1cc(C)cc(OCCN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1
InChIInChI=1S/C23H32N4O4S/c1-19-15-20(2)17-21(16-19)31-14-9-25-5-7-26(8-6-25)23-4-3-22(18-24-23)32(28,29)27-10-12-30-13-11-27/h3-4,15-18H,5-14H2,1-2H3
InChIKeyQRCKDWZUGXKCKR-UHFFFAOYSA-N
MW460.60 g/mol
LogP1.92
Rot. Bonds7

About 4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine

4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine (PubChem CID 24595656) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is 4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
PubChem CID24595656
Molecular FormulaC23H32N4O4S
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC Name4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
SMILESCc1cc(C)cc(OCCN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1
InChIInChI=1S/C23H32N4O4S/c1-19-15-20(2)17-21(16-19)31-14-9-25-5-7-26(8-6-25)23-4-3-22(18-24-23)32(28,29)27-10-12-30-13-11-27/h3-4,15-18H,5-14H2,1-2H3
InChIKeyQRCKDWZUGXKCKR-UHFFFAOYSA-N
XLogP1.92
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine with MolForge

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Related Compounds

4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 24595663
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
2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598564
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 43039440
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine
CID 55471571
4-[[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9186566
4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine
CID 23154459
2-(3-methoxy-4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598602
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
1-propyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 133322500

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine (CID 24595656) is 4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine is Cc1cc(C)cc(OCCN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1.
What is the InChIKey of 4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is QRCKDWZUGXKCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-19-15-20(2)17-21(16-19)31-14-9-25-5-7-26(8-6-25)23-4-3-22(18-24-23)32(28,29)27-10-12-30-13-11-27/h3-4,15-18H,5-14H2,1-2H3.
What are the key properties of 4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 460.60 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 24595656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).