1-methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine

C19H25N3O4S — CID 24982380

IUPAC1-methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine
SMILESCCCOc1ccc(Oc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1
InChIInChI=1S/C19H25N3O4S/c1-3-14-25-16-4-6-17(7-5-16)26-19-9-8-18(15-20-19)27(23,24)22-12-10-21(2)11-13-22/h4-9,15H,3,10-14H2,1-2H3
InChIKeyPFWBJRJGJHTSCB-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.60
Rot. Bonds7

About 1-methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine

1-methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine (PubChem CID 24982380) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine
PubChem CID24982380
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name1-methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine
SMILESCCCOc1ccc(Oc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1
InChIInChI=1S/C19H25N3O4S/c1-3-14-25-16-4-6-17(7-5-16)26-19-9-8-18(15-20-19)27(23,24)22-12-10-21(2)11-13-22/h4-9,15H,3,10-14H2,1-2H3
InChIKeyPFWBJRJGJHTSCB-UHFFFAOYSA-N
XLogP2.60
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 828758
CID 828758
CID 676047
CID 676047
CID 729504
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CID 46703770
CID 46703770
CID 4885397
CID 4885397
CID 71652382
CID 71652382
CID 741474
CID 741474
CID 2424901
CID 2424901
CID 2991320
CID 2991320
CID 893397
CID 893397
CID 3239781
CID 3239781
CID 25243746
CID 25243746

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine?
The IUPAC name of 1-methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine (CID 24982380) is 1-methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine?
The canonical SMILES for 1-methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine is CCCOc1ccc(Oc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1.
What is the InChIKey of 1-methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine?
The InChIKey is PFWBJRJGJHTSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-3-14-25-16-4-6-17(7-5-16)26-19-9-8-18(15-20-19)27(23,24)22-12-10-21(2)11-13-22/h4-9,15H,3,10-14H2,1-2H3.
What are the key properties of 1-methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine?
1-methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine has a molecular weight of 391.49 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine is sourced from PubChem (CID 24982380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).