2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C20H30N6O2S — CID 20893415

IUPAC2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2nc(N3CCC(C(=O)N4CCN(CC)CC4)CC3)sc2n1
InChIInChI=1S/C20H30N6O2S/c1-3-5-16-14-17(27)26-19(21-16)29-20(22-26)25-8-6-15(7-9-25)18(28)24-12-10-23(4-2)11-13-24/h14-15H,3-13H2,1-2H3
InChIKeyUOBJTQRLZGDYKZ-UHFFFAOYSA-N
MW418.57 g/mol
LogP1.48
Rot. Bonds5

About 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20893415) has the molecular formula C20H30N6O2S and a molecular weight of 418.57 g/mol. Its IUPAC name is 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID20893415
Molecular FormulaC20H30N6O2S
Molecular Weight418.57 g/mol
Exact Mass418.22
IUPAC Name2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2nc(N3CCC(C(=O)N4CCN(CC)CC4)CC3)sc2n1
InChIInChI=1S/C20H30N6O2S/c1-3-5-16-14-17(27)26-19(21-16)29-20(22-26)25-8-6-15(7-9-25)18(28)24-12-10-23(4-2)11-13-24/h14-15H,3-13H2,1-2H3
InChIKeyUOBJTQRLZGDYKZ-UHFFFAOYSA-N
XLogP1.48
TPSA74.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-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 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 20893415) is 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCCc1cc(=O)n2nc(N3CCC(C(=O)N4CCN(CC)CC4)CC3)sc2n1.
What is the InChIKey of 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UOBJTQRLZGDYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2S/c1-3-5-16-14-17(27)26-19(21-16)29-20(22-26)25-8-6-15(7-9-25)18(28)24-12-10-23(4-2)11-13-24/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 418.57 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20893415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).