3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide

C17H28N4O4S — CID 72882408

IUPAC3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCn1cc(S(=O)(=O)N2CCC(CCC(=O)NCC3CCCO3)CC2)cn1
InChIInChI=1S/C17H28N4O4S/c1-20-13-16(12-19-20)26(23,24)21-8-6-14(7-9-21)4-5-17(22)18-11-15-3-2-10-25-15/h12-15H,2-11H2,1H3,(H,18,22)
InChIKeyZDICBKRXPAHVTE-UHFFFAOYSA-N
MW384.50 g/mol
LogP0.90
Rot. Bonds7

About 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide

3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 72882408) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID72882408
Molecular FormulaC17H28N4O4S
Molecular Weight384.50 g/mol
Exact Mass384.18
IUPAC Name3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCn1cc(S(=O)(=O)N2CCC(CCC(=O)NCC3CCCO3)CC2)cn1
InChIInChI=1S/C17H28N4O4S/c1-20-13-16(12-19-20)26(23,24)21-8-6-14(7-9-21)4-5-17(22)18-11-15-3-2-10-25-15/h12-15H,2-11H2,1H3,(H,18,22)
InChIKeyZDICBKRXPAHVTE-UHFFFAOYSA-N
XLogP0.90
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 72882408) is 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide is Cn1cc(S(=O)(=O)N2CCC(CCC(=O)NCC3CCCO3)CC2)cn1.
What is the InChIKey of 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is ZDICBKRXPAHVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-20-13-16(12-19-20)26(23,24)21-8-6-14(7-9-21)4-5-17(22)18-11-15-3-2-10-25-15/h12-15H,2-11H2,1H3,(H,18,22).
What are the key properties of 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 384.50 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 72882408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).