5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one

C21H25N5OS — CID 58430577

IUPAC5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one
SMILESO=c1ccc2c(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cccc2[nH]1
InChIInChI=1S/C21H25N5OS/c27-19-8-7-16-17(5-4-6-18(16)22-19)20-23-24-21(28-20)26-13-9-15(10-14-26)25-11-2-1-3-12-25/h4-8,15H,1-3,9-14H2,(H,22,27)
InChIKeyMAXOGUXZCWXAII-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.50
Rot. Bonds3

About 5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one

5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one (PubChem CID 58430577) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one
PubChem CID58430577
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one
SMILESO=c1ccc2c(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cccc2[nH]1
InChIInChI=1S/C21H25N5OS/c27-19-8-7-16-17(5-4-6-18(16)22-19)20-23-24-21(28-20)26-13-9-15(10-14-26)25-11-2-1-3-12-25/h4-8,15H,1-3,9-14H2,(H,22,27)
InChIKeyMAXOGUXZCWXAII-UHFFFAOYSA-N
XLogP3.50
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one (CID 58430577) is 5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one is O=c1ccc2c(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cccc2[nH]1.
What is the InChIKey of 5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one?
The InChIKey is MAXOGUXZCWXAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c27-19-8-7-16-17(5-4-6-18(16)22-19)20-23-24-21(28-20)26-13-9-15(10-14-26)25-11-2-1-3-12-25/h4-8,15H,1-3,9-14H2,(H,22,27).
What are the key properties of 5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one?
5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one has a molecular weight of 395.53 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 58430577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).