1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine

C23H32N4O2S — CID 133406857

IUPAC1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCCCC3CCc3ccccc3)nc2)CC1
InChIInChI=1S/C23H32N4O2S/c1-25-15-17-26(18-16-25)30(28,29)22-12-13-23(24-19-22)27-14-6-5-9-21(27)11-10-20-7-3-2-4-8-20/h2-4,7-8,12-13,19,21H,5-6,9-11,14-18H2,1H3
InChIKeyGCQVGKJLRKPEPK-UHFFFAOYSA-N
MW428.60 g/mol
LogP3.01
Rot. Bonds6

About 1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine

1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine (PubChem CID 133406857) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is 1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine
PubChem CID133406857
Molecular FormulaC23H32N4O2S
Molecular Weight428.60 g/mol
Exact Mass428.22
IUPAC Name1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCCCC3CCc3ccccc3)nc2)CC1
InChIInChI=1S/C23H32N4O2S/c1-25-15-17-26(18-16-25)30(28,29)22-12-13-23(24-19-22)27-14-6-5-9-21(27)11-10-20-7-3-2-4-8-20/h2-4,7-8,12-13,19,21H,5-6,9-11,14-18H2,1H3
InChIKeyGCQVGKJLRKPEPK-UHFFFAOYSA-N
XLogP3.01
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
1-[[6-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 17425757
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-4-phenylazepane
CID 133286681
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-3-methylsulfanylazepane
CID 133395006
1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine
CID 86902816
4-benzyl-5-methyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 133332497
1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 133354493
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine
CID 133301487
2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine
CID 133309167
1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 139004098
(2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122059848
3-methyl-6-[2-(2-phenylethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133406852

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine?
The IUPAC name of 1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine (CID 133406857) is 1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine?
The canonical SMILES for 1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine is CN1CCN(S(=O)(=O)c2ccc(N3CCCCC3CCc3ccccc3)nc2)CC1.
What is the InChIKey of 1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine?
The InChIKey is GCQVGKJLRKPEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-25-15-17-26(18-16-25)30(28,29)22-12-13-23(24-19-22)27-14-6-5-9-21(27)11-10-20-7-3-2-4-8-20/h2-4,7-8,12-13,19,21H,5-6,9-11,14-18H2,1H3.
What are the key properties of 1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine?
1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine has a molecular weight of 428.60 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine is sourced from PubChem (CID 133406857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).