3-piperidin-1-yl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine

C16H28N4O2S — CID 71997606

IUPAC3-piperidin-1-yl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine
SMILESCC(C)n1cc(S(=O)(=O)N2CCCC(N3CCCCC3)C2)cn1
InChIInChI=1S/C16H28N4O2S/c1-14(2)20-13-16(11-17-20)23(21,22)19-10-6-7-15(12-19)18-8-4-3-5-9-18/h11,13-15H,3-10,12H2,1-2H3
InChIKeyMFOLOANDBZNDGE-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.10
Rot. Bonds4

About 3-piperidin-1-yl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine

3-piperidin-1-yl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 71997606) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 3-piperidin-1-yl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name3-piperidin-1-yl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine
PubChem CID71997606
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name3-piperidin-1-yl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine
SMILESCC(C)n1cc(S(=O)(=O)N2CCCC(N3CCCCC3)C2)cn1
InChIInChI=1S/C16H28N4O2S/c1-14(2)20-13-16(11-17-20)23(21,22)19-10-6-7-15(12-19)18-8-4-3-5-9-18/h11,13-15H,3-10,12H2,1-2H3
InChIKeyMFOLOANDBZNDGE-UHFFFAOYSA-N
XLogP2.10
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 3-piperidin-1-yl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine (CID 71997606) is 3-piperidin-1-yl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 3-piperidin-1-yl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 3-piperidin-1-yl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine is CC(C)n1cc(S(=O)(=O)N2CCCC(N3CCCCC3)C2)cn1.
What is the InChIKey of 3-piperidin-1-yl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is MFOLOANDBZNDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-14(2)20-13-16(11-17-20)23(21,22)19-10-6-7-15(12-19)18-8-4-3-5-9-18/h11,13-15H,3-10,12H2,1-2H3.
What are the key properties of 3-piperidin-1-yl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine?
3-piperidin-1-yl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 340.49 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 71997606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).