1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine

C17H21N3O3S — CID 51079484

IUPAC1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C17H21N3O3S/c1-23-16-6-4-15(5-7-16)14-19-9-11-20(12-10-19)24(21,22)17-3-2-8-18-13-17/h2-8,13H,9-12,14H2,1H3
InChIKeyBVOYABVXIKCTDB-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.60
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine

1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine (PubChem CID 51079484) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
PubChem CID51079484
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C17H21N3O3S/c1-23-16-6-4-15(5-7-16)14-19-9-11-20(12-10-19)24(21,22)17-3-2-8-18-13-17/h2-8,13H,9-12,14H2,1H3
InChIKeyBVOYABVXIKCTDB-UHFFFAOYSA-N
XLogP1.60
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-ethoxy-3-pyridinyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
CID 167934401
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 17060302
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
1-(2,5-dimethoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine
CID 51307414
1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 998107
2-[4-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzonitrile
CID 37068902
5-(4-methoxyphenyl)-4-methyl-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione
CID 55626863
1-(benzenesulfonyl)-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 90483917
2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 63239500
1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine
CID 53185153
2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-benzoxazole
CID 37067366
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine (CID 51079484) is 1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine is COc1ccc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine?
The InChIKey is BVOYABVXIKCTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-23-16-6-4-15(5-7-16)14-19-9-11-20(12-10-19)24(21,22)17-3-2-8-18-13-17/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine?
1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine has a molecular weight of 347.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine is sourced from PubChem (CID 51079484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).