1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-morpholin-4-ylpiperidine-1-carbonyl)pyrrolidin-2-one

C17H25N5O3S — CID 154569611

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-morpholin-4-ylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCc1nnc(N2CC(C(=O)N3CCC(N4CCOCC4)CC3)CC2=O)s1
InChIInChI=1S/C17H25N5O3S/c1-12-18-19-17(26-12)22-11-13(10-15(22)23)16(24)21-4-2-14(3-5-21)20-6-8-25-9-7-20/h13-14H,2-11H2,1H3
InChIKeyVWUJOSZHTOAMNE-UHFFFAOYSA-N
MW379.49 g/mol
LogP0.52
Rot. Bonds3

About 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-morpholin-4-ylpiperidine-1-carbonyl)pyrrolidin-2-one

1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-morpholin-4-ylpiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 154569611) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-morpholin-4-ylpiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-morpholin-4-ylpiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID154569611
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-morpholin-4-ylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCc1nnc(N2CC(C(=O)N3CCC(N4CCOCC4)CC3)CC2=O)s1
InChIInChI=1S/C17H25N5O3S/c1-12-18-19-17(26-12)22-11-13(10-15(22)23)16(24)21-4-2-14(3-5-21)20-6-8-25-9-7-20/h13-14H,2-11H2,1H3
InChIKeyVWUJOSZHTOAMNE-UHFFFAOYSA-N
XLogP0.52
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-morpholin-4-ylpiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-morpholin-4-ylpiperidine-1-carbonyl)pyrrolidin-2-one (CID 154569611) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-morpholin-4-ylpiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-morpholin-4-ylpiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-morpholin-4-ylpiperidine-1-carbonyl)pyrrolidin-2-one is Cc1nnc(N2CC(C(=O)N3CCC(N4CCOCC4)CC3)CC2=O)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-morpholin-4-ylpiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is VWUJOSZHTOAMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-12-18-19-17(26-12)22-11-13(10-15(22)23)16(24)21-4-2-14(3-5-21)20-6-8-25-9-7-20/h13-14H,2-11H2,1H3.
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-morpholin-4-ylpiperidine-1-carbonyl)pyrrolidin-2-one?
1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-morpholin-4-ylpiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 379.49 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-morpholin-4-ylpiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 154569611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).