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

C18H25N5O2S — CID 20892987

IUPAC7-methyl-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCCC(C(=O)N4CCC(C)CC4)C3)sc2n1
InChIInChI=1S/C18H25N5O2S/c1-12-5-8-21(9-6-12)16(25)14-4-3-7-22(11-14)18-20-23-15(24)10-13(2)19-17(23)26-18/h10,12,14H,3-9,11H2,1-2H3
InChIKeyUAOAOIXDDHBXBQ-UHFFFAOYSA-N
MW375.50 g/mol
LogP1.93
Rot. Bonds2

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

7-methyl-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20892987) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 7-methyl-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID20892987
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name7-methyl-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCCC(C(=O)N4CCC(C)CC4)C3)sc2n1
InChIInChI=1S/C18H25N5O2S/c1-12-5-8-21(9-6-12)16(25)14-4-3-7-22(11-14)18-20-23-15(24)10-13(2)19-17(23)26-18/h10,12,14H,3-9,11H2,1-2H3
InChIKeyUAOAOIXDDHBXBQ-UHFFFAOYSA-N
XLogP1.93
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 20892987) is 7-methyl-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(N3CCCC(C(=O)N4CCC(C)CC4)C3)sc2n1.
What is the InChIKey of 7-methyl-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UAOAOIXDDHBXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-12-5-8-21(9-6-12)16(25)14-4-3-7-22(11-14)18-20-23-15(24)10-13(2)19-17(23)26-18/h10,12,14H,3-9,11H2,1-2H3.
What are the key properties of 7-methyl-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 375.50 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20892987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).