1-(2,3-dihydro-1-benzofuran-6-ylmethyl)-4-(5-methylsulfonyl-3-pyridinyl)piperazine

C19H23N3O3S — CID 166989734

IUPAC1-(2,3-dihydro-1-benzofuran-6-ylmethyl)-4-(5-methylsulfonyl-3-pyridinyl)piperazine
SMILESCS(=O)(=O)c1cncc(N2CCN(Cc3ccc4c(c3)OCC4)CC2)c1
InChIInChI=1S/C19H23N3O3S/c1-26(23,24)18-11-17(12-20-13-18)22-7-5-21(6-8-22)14-15-2-3-16-4-9-25-19(16)10-15/h2-3,10-13H,4-9,14H2,1H3
InChIKeyUULKINDKEFXQCJ-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.74
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-6-ylmethyl)-4-(5-methylsulfonyl-3-pyridinyl)piperazine

1-(2,3-dihydro-1-benzofuran-6-ylmethyl)-4-(5-methylsulfonyl-3-pyridinyl)piperazine (PubChem CID 166989734) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-6-ylmethyl)-4-(5-methylsulfonyl-3-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-6-ylmethyl)-4-(5-methylsulfonyl-3-pyridinyl)piperazine
PubChem CID166989734
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-6-ylmethyl)-4-(5-methylsulfonyl-3-pyridinyl)piperazine
SMILESCS(=O)(=O)c1cncc(N2CCN(Cc3ccc4c(c3)OCC4)CC2)c1
InChIInChI=1S/C19H23N3O3S/c1-26(23,24)18-11-17(12-20-13-18)22-7-5-21(6-8-22)14-15-2-3-16-4-9-25-19(16)10-15/h2-3,10-13H,4-9,14H2,1H3
InChIKeyUULKINDKEFXQCJ-UHFFFAOYSA-N
XLogP1.74
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]pyrazol-1-yl]-1,1,1-trifluoropropan-2-ol
CID 130376972
CID 167102161
CID 167102161
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazine
CID 26448145
[6-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-3-pyridinyl]-methyl-methylimino-λ4-sulfane
CID 142413978
2-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 130377122
1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane
CID 142954380
7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930646
1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine
CID 141118596
7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930562
2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 71706113
1-(4-bromophenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine
CID 26542079
6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-6-ylmethyl)-4-(5-methylsulfonyl-3-pyridinyl)piperazine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-6-ylmethyl)-4-(5-methylsulfonyl-3-pyridinyl)piperazine (CID 166989734) is 1-(2,3-dihydro-1-benzofuran-6-ylmethyl)-4-(5-methylsulfonyl-3-pyridinyl)piperazine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-6-ylmethyl)-4-(5-methylsulfonyl-3-pyridinyl)piperazine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-6-ylmethyl)-4-(5-methylsulfonyl-3-pyridinyl)piperazine is CS(=O)(=O)c1cncc(N2CCN(Cc3ccc4c(c3)OCC4)CC2)c1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-6-ylmethyl)-4-(5-methylsulfonyl-3-pyridinyl)piperazine?
The InChIKey is UULKINDKEFXQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-26(23,24)18-11-17(12-20-13-18)22-7-5-21(6-8-22)14-15-2-3-16-4-9-25-19(16)10-15/h2-3,10-13H,4-9,14H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-6-ylmethyl)-4-(5-methylsulfonyl-3-pyridinyl)piperazine?
1-(2,3-dihydro-1-benzofuran-6-ylmethyl)-4-(5-methylsulfonyl-3-pyridinyl)piperazine has a molecular weight of 373.48 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-6-ylmethyl)-4-(5-methylsulfonyl-3-pyridinyl)piperazine is sourced from PubChem (CID 166989734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).