1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide

About 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide

1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 122176299) has the molecular formula C21H32N6O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name	1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID	122176299
Molecular Formula	C21H32N6O2S
Molecular Weight	432.59 g/mol
Exact Mass	432.23
IUPAC Name	1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
SMILES	Cc1cc(=O)n2nc(N3CCCC(C(=O)NCCCN4CCCCC4C)C3)sc2n1
InChI	InChI=1S/C21H32N6O2S/c1-15-13-18(28)27-20(23-15)30-21(24-27)26-11-5-8-17(14-26)19(29)22-9-6-12-25-10-4-3-7-16(25)2/h13,16-17H,3-12,14H2,1-2H3,(H,22,29)
InChIKey	BORWPCKXAHDVEB-UHFFFAOYSA-N
XLogP	2.06
TPSA	82.84 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.59
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?

The IUPAC name of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide (CID 122176299) is 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?

The canonical SMILES for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide is Cc1cc(=O)n2nc(N3CCCC(C(=O)NCCCN4CCCCC4C)C3)sc2n1.

What is the InChIKey of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?

The InChIKey is BORWPCKXAHDVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2S/c1-15-13-18(28)27-20(23-15)30-21(24-27)26-11-5-8-17(14-26)19(29)22-9-6-12-25-10-4-3-7-16(25)2/h13,16-17H,3-12,14H2,1-2H3,(H,22,29).

What are the key properties of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?

1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 122176299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).