2-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

C25H36N6O2S — CID 46378728

IUPAC2-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESO=C(C1CCCN(c2nn3c(=O)c4c(nc3s2)CCCC4)C1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C25H36N6O2S/c32-22(29-15-10-19(11-16-29)28-12-4-1-5-13-28)18-7-6-14-30(17-18)25-27-31-23(33)20-8-2-3-9-21(20)26-24(31)34-25/h18-19H,1-17H2
InChIKeyDSJKNVAPTBYQJZ-UHFFFAOYSA-N
MW484.67 g/mol
LogP2.72
Rot. Bonds3

About 2-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

2-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (PubChem CID 46378728) has the molecular formula C25H36N6O2S and a molecular weight of 484.67 g/mol. Its IUPAC name is 2-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name2-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
PubChem CID46378728
Molecular FormulaC25H36N6O2S
Molecular Weight484.67 g/mol
Exact Mass484.26
IUPAC Name2-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESO=C(C1CCCN(c2nn3c(=O)c4c(nc3s2)CCCC4)C1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C25H36N6O2S/c32-22(29-15-10-19(11-16-29)28-12-4-1-5-13-28)18-7-6-14-30(17-18)25-27-31-23(33)20-8-2-3-9-21(20)26-24(31)34-25/h18-19H,1-17H2
InChIKeyDSJKNVAPTBYQJZ-UHFFFAOYSA-N
XLogP2.72
TPSA74.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-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-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 2-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (CID 46378728) is 2-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 2-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 2-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is O=C(C1CCCN(c2nn3c(=O)c4c(nc3s2)CCCC4)C1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The InChIKey is DSJKNVAPTBYQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O2S/c32-22(29-15-10-19(11-16-29)28-12-4-1-5-13-28)18-7-6-14-30(17-18)25-27-31-23(33)20-8-2-3-9-21(20)26-24(31)34-25/h18-19H,1-17H2.
What are the key properties of 2-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
2-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one has a molecular weight of 484.67 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 46378728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).