1-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-4-methylpiperidine

C16H28N4O2S — CID 46981278

IUPAC1-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-4-methylpiperidine
SMILESCc1cc(C)n(C2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)n1
InChIInChI=1S/C16H28N4O2S/c1-13-4-8-18(9-5-13)23(21,22)19-10-6-16(7-11-19)20-15(3)12-14(2)17-20/h12-13,16H,4-11H2,1-3H3
InChIKeyVOEFZIWSUMIQQI-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.11
Rot. Bonds3

About 1-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-4-methylpiperidine

1-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-4-methylpiperidine (PubChem CID 46981278) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-4-methylpiperidine
PubChem CID46981278
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name1-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-4-methylpiperidine
SMILESCc1cc(C)n(C2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)n1
InChIInChI=1S/C16H28N4O2S/c1-13-4-8-18(9-5-13)23(21,22)19-10-6-16(7-11-19)20-15(3)12-14(2)17-20/h12-13,16H,4-11H2,1-3H3
InChIKeyVOEFZIWSUMIQQI-UHFFFAOYSA-N
XLogP2.11
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-4-methylpiperidine?
The IUPAC name of 1-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-4-methylpiperidine (CID 46981278) is 1-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-4-methylpiperidine is Cc1cc(C)n(C2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)n1.
What is the InChIKey of 1-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-4-methylpiperidine?
The InChIKey is VOEFZIWSUMIQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-13-4-8-18(9-5-13)23(21,22)19-10-6-16(7-11-19)20-15(3)12-14(2)17-20/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 1-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-4-methylpiperidine?
1-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-4-methylpiperidine has a molecular weight of 340.49 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-4-methylpiperidine is sourced from PubChem (CID 46981278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).