1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one

C15H22N4O2S — CID 56870901

IUPAC1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESCC(C)c1nnsc1C(=O)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C15H22N4O2S/c1-10(2)13-14(22-17-16-13)15(21)18-8-5-11(6-9-18)19-7-3-4-12(19)20/h10-11H,3-9H2,1-2H3
InChIKeyOSDWQIREZHTYPY-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.89
Rot. Bonds3

About 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 56870901) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID56870901
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESCC(C)c1nnsc1C(=O)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C15H22N4O2S/c1-10(2)13-14(22-17-16-13)15(21)18-8-5-11(6-9-18)19-7-3-4-12(19)20/h10-11H,3-9H2,1-2H3
InChIKeyOSDWQIREZHTYPY-UHFFFAOYSA-N
XLogP1.89
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one (CID 56870901) is 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one is CC(C)c1nnsc1C(=O)N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is OSDWQIREZHTYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-10(2)13-14(22-17-16-13)15(21)18-8-5-11(6-9-18)19-7-3-4-12(19)20/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 322.43 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 56870901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).