1-[(5-ethoxy-3-pyridinyl)methyl]-4-pyridin-3-ylsulfonylpiperazine

C17H22N4O3S — CID 167934401

IUPAC1-[(5-ethoxy-3-pyridinyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
SMILESCCOc1cncc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C17H22N4O3S/c1-2-24-16-10-15(11-19-12-16)14-20-6-8-21(9-7-20)25(22,23)17-4-3-5-18-13-17/h3-5,10-13H,2,6-9,14H2,1H3
InChIKeyVJIPYVCCKNRNPX-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.38
Rot. Bonds6

About 1-[(5-ethoxy-3-pyridinyl)methyl]-4-pyridin-3-ylsulfonylpiperazine

1-[(5-ethoxy-3-pyridinyl)methyl]-4-pyridin-3-ylsulfonylpiperazine (PubChem CID 167934401) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-[(5-ethoxy-3-pyridinyl)methyl]-4-pyridin-3-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(5-ethoxy-3-pyridinyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
PubChem CID167934401
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-[(5-ethoxy-3-pyridinyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
SMILESCCOc1cncc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C17H22N4O3S/c1-2-24-16-10-15(11-19-12-16)14-20-6-8-21(9-7-20)25(22,23)17-4-3-5-18-13-17/h3-5,10-13H,2,6-9,14H2,1H3
InChIKeyVJIPYVCCKNRNPX-UHFFFAOYSA-N
XLogP1.38
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
CID 51079484
1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazine
CID 29340040
1-(benzenesulfonyl)-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 90483917
1-(benzenesulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 17365974
2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 63239500
1-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 8746856
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
1-(2,5-dimethoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine
CID 51307414
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 17338187
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(pyridin-3-ylmethyl)piperazine
CID 113074190
1-pyridin-3-ylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 37067319

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethoxy-3-pyridinyl)methyl]-4-pyridin-3-ylsulfonylpiperazine?
The IUPAC name of 1-[(5-ethoxy-3-pyridinyl)methyl]-4-pyridin-3-ylsulfonylpiperazine (CID 167934401) is 1-[(5-ethoxy-3-pyridinyl)methyl]-4-pyridin-3-ylsulfonylpiperazine.
What is the SMILES notation for 1-[(5-ethoxy-3-pyridinyl)methyl]-4-pyridin-3-ylsulfonylpiperazine?
The canonical SMILES for 1-[(5-ethoxy-3-pyridinyl)methyl]-4-pyridin-3-ylsulfonylpiperazine is CCOc1cncc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)c1.
What is the InChIKey of 1-[(5-ethoxy-3-pyridinyl)methyl]-4-pyridin-3-ylsulfonylpiperazine?
The InChIKey is VJIPYVCCKNRNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-2-24-16-10-15(11-19-12-16)14-20-6-8-21(9-7-20)25(22,23)17-4-3-5-18-13-17/h3-5,10-13H,2,6-9,14H2,1H3.
What are the key properties of 1-[(5-ethoxy-3-pyridinyl)methyl]-4-pyridin-3-ylsulfonylpiperazine?
1-[(5-ethoxy-3-pyridinyl)methyl]-4-pyridin-3-ylsulfonylpiperazine has a molecular weight of 362.46 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethoxy-3-pyridinyl)methyl]-4-pyridin-3-ylsulfonylpiperazine is sourced from PubChem (CID 167934401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).