1-[5-[3-(piperidine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

C17H25N5O2S — CID 20958136

IUPAC1-[5-[3-(piperidine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
SMILESO=C(C1CCCN(c2nnc(N3CCCC3=O)s2)C1)N1CCCCC1
InChIInChI=1S/C17H25N5O2S/c23-14-7-5-11-22(14)17-19-18-16(25-17)21-10-4-6-13(12-21)15(24)20-8-2-1-3-9-20/h13H,1-12H2
InChIKeyJGRZPLQZHBORQA-UHFFFAOYSA-N
MW363.49 g/mol
LogP1.89
Rot. Bonds3

About 1-[5-[3-(piperidine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

1-[5-[3-(piperidine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one (PubChem CID 20958136) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 1-[5-[3-(piperidine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-[3-(piperidine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
PubChem CID20958136
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name1-[5-[3-(piperidine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
SMILESO=C(C1CCCN(c2nnc(N3CCCC3=O)s2)C1)N1CCCCC1
InChIInChI=1S/C17H25N5O2S/c23-14-7-5-11-22(14)17-19-18-16(25-17)21-10-4-6-13(12-21)15(24)20-8-2-1-3-9-20/h13H,1-12H2
InChIKeyJGRZPLQZHBORQA-UHFFFAOYSA-N
XLogP1.89
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(piperidine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-[3-(piperidine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one (CID 20958136) is 1-[5-[3-(piperidine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-[3-(piperidine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-[3-(piperidine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one is O=C(C1CCCN(c2nnc(N3CCCC3=O)s2)C1)N1CCCCC1.
What is the InChIKey of 1-[5-[3-(piperidine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The InChIKey is JGRZPLQZHBORQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c23-14-7-5-11-22(14)17-19-18-16(25-17)21-10-4-6-13(12-21)15(24)20-8-2-1-3-9-20/h13H,1-12H2.
What are the key properties of 1-[5-[3-(piperidine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
1-[5-[3-(piperidine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one has a molecular weight of 363.49 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(piperidine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 20958136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).