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

C18H28N6O2S — CID 20958132

IUPAC1-[5-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
SMILESCCN1CCN(C(=O)C2CCCN(c3nnc(N4CCCC4=O)s3)C2)CC1
InChIInChI=1S/C18H28N6O2S/c1-2-21-9-11-22(12-10-21)16(26)14-5-3-7-23(13-14)17-19-20-18(27-17)24-8-4-6-15(24)25/h14H,2-13H2,1H3
InChIKeySEARHQKXJLVFRD-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.05
Rot. Bonds4

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

1-[5-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one (PubChem CID 20958132) has the molecular formula C18H28N6O2S and a molecular weight of 392.53 g/mol. Its IUPAC name is 1-[5-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
PubChem CID20958132
Molecular FormulaC18H28N6O2S
Molecular Weight392.53 g/mol
Exact Mass392.20
IUPAC Name1-[5-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
SMILESCCN1CCN(C(=O)C2CCCN(c3nnc(N4CCCC4=O)s3)C2)CC1
InChIInChI=1S/C18H28N6O2S/c1-2-21-9-11-22(12-10-21)16(26)14-5-3-7-23(13-14)17-19-20-18(27-17)24-8-4-6-15(24)25/h14H,2-13H2,1H3
InChIKeySEARHQKXJLVFRD-UHFFFAOYSA-N
XLogP1.05
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one (CID 20958132) is 1-[5-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one is CCN1CCN(C(=O)C2CCCN(c3nnc(N4CCCC4=O)s3)C2)CC1.
What is the InChIKey of 1-[5-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The InChIKey is SEARHQKXJLVFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2S/c1-2-21-9-11-22(12-10-21)16(26)14-5-3-7-23(13-14)17-19-20-18(27-17)24-8-4-6-15(24)25/h14H,2-13H2,1H3.
What are the key properties of 1-[5-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
1-[5-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one has a molecular weight of 392.53 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 20958132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).