2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine

C13H23N5O2S — CID 120894552

IUPAC2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine
SMILESCn1ccnc1C1CNCCN1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C13H23N5O2S/c1-16-9-6-15-13(16)12-11-14-5-10-18(12)21(19,20)17-7-3-2-4-8-17/h6,9,12,14H,2-5,7-8,10-11H2,1H3
InChIKeyIMLZWVCDKSSNNB-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.10
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine

2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine (PubChem CID 120894552) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine
PubChem CID120894552
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine
SMILESCn1ccnc1C1CNCCN1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C13H23N5O2S/c1-16-9-6-15-13(16)12-11-14-5-10-18(12)21(19,20)17-7-3-2-4-8-17/h6,9,12,14H,2-5,7-8,10-11H2,1H3
InChIKeyIMLZWVCDKSSNNB-UHFFFAOYSA-N
XLogP0.10
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 120895211
1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895125
2,2-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride
CID 120895077
2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride
CID 120894939
N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide
CID 120894744
1-(2-chlorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894581
1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine
CID 120894912
1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894696
1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894523
1-(4-ethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895239
1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895215
1-(2-chloro-6-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894364

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine (CID 120894552) is 2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine is Cn1ccnc1C1CNCCN1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine?
The InChIKey is IMLZWVCDKSSNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-16-9-6-15-13(16)12-11-14-5-10-18(12)21(19,20)17-7-3-2-4-8-17/h6,9,12,14H,2-5,7-8,10-11H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine?
2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine has a molecular weight of 313.43 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine is sourced from PubChem (CID 120894552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).