1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propylpiperidine-3-carboxamide

C15H23N5O2S — CID 22513476

IUPAC1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2nnc(N3CCCC3=O)s2)C1
InChIInChI=1S/C15H23N5O2S/c1-2-7-16-13(22)11-5-3-8-19(10-11)14-17-18-15(23-14)20-9-4-6-12(20)21/h11H,2-10H2,1H3,(H,16,22)
InChIKeyWJTQKVTYIYVHHU-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.41
Rot. Bonds5

About 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propylpiperidine-3-carboxamide

1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propylpiperidine-3-carboxamide (PubChem CID 22513476) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propylpiperidine-3-carboxamide
PubChem CID22513476
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2nnc(N3CCCC3=O)s2)C1
InChIInChI=1S/C15H23N5O2S/c1-2-7-16-13(22)11-5-3-8-19(10-11)14-17-18-15(23-14)20-9-4-6-12(20)21/h11H,2-10H2,1H3,(H,16,22)
InChIKeyWJTQKVTYIYVHHU-UHFFFAOYSA-N
XLogP1.41
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propylpiperidine-3-carboxamide (CID 22513476) is 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(c2nnc(N3CCCC3=O)s2)C1.
What is the InChIKey of 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propylpiperidine-3-carboxamide?
The InChIKey is WJTQKVTYIYVHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-2-7-16-13(22)11-5-3-8-19(10-11)14-17-18-15(23-14)20-9-4-6-12(20)21/h11H,2-10H2,1H3,(H,16,22).
What are the key properties of 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propylpiperidine-3-carboxamide?
1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propylpiperidine-3-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 22513476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).