1-[1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one

C15H24N4OS — CID 56862814

IUPAC1-[1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one
SMILESCC(C)c1nnsc1CN1CCCC(N2CCCC2=O)C1
InChIInChI=1S/C15H24N4OS/c1-11(2)15-13(21-17-16-15)10-18-7-3-5-12(9-18)19-8-4-6-14(19)20/h11-12H,3-10H2,1-2H3
InChIKeyAOJFQJUGNVFLMH-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.25
Rot. Bonds4

About 1-[1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one

1-[1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one (PubChem CID 56862814) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one
PubChem CID56862814
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name1-[1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one
SMILESCC(C)c1nnsc1CN1CCCC(N2CCCC2=O)C1
InChIInChI=1S/C15H24N4OS/c1-11(2)15-13(21-17-16-15)10-18-7-3-5-12(9-18)19-8-4-6-14(19)20/h11-12H,3-10H2,1-2H3
InChIKeyAOJFQJUGNVFLMH-UHFFFAOYSA-N
XLogP2.25
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.25
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-ylthiadiazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one (CID 56862814) is 1-[1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one is CC(C)c1nnsc1CN1CCCC(N2CCCC2=O)C1.
What is the InChIKey of 1-[1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is AOJFQJUGNVFLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-11(2)15-13(21-17-16-15)10-18-7-3-5-12(9-18)19-8-4-6-14(19)20/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one?
1-[1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 308.45 g/mol, XLogP of 2.25, 4 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-ylthiadiazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 56862814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).