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

C16H21N5O3S — CID 3245528

IUPAC7-methyl-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCCC(C(=O)N4CCOCC4)C3)sc2n1
InChIInChI=1S/C16H21N5O3S/c1-11-9-13(22)21-15(17-11)25-16(18-21)20-4-2-3-12(10-20)14(23)19-5-7-24-8-6-19/h9,12H,2-8,10H2,1H3
InChIKeyOGHOUNGKCYALAC-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.53
Rot. Bonds2

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

7-methyl-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3245528) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 7-methyl-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID3245528
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name7-methyl-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCCC(C(=O)N4CCOCC4)C3)sc2n1
InChIInChI=1S/C16H21N5O3S/c1-11-9-13(22)21-15(17-11)25-16(18-21)20-4-2-3-12(10-20)14(23)19-5-7-24-8-6-19/h9,12H,2-8,10H2,1H3
InChIKeyOGHOUNGKCYALAC-UHFFFAOYSA-N
XLogP0.53
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 3245528) is 7-methyl-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(N3CCCC(C(=O)N4CCOCC4)C3)sc2n1.
What is the InChIKey of 7-methyl-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OGHOUNGKCYALAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-11-9-13(22)21-15(17-11)25-16(18-21)20-4-2-3-12(10-20)14(23)19-5-7-24-8-6-19/h9,12H,2-8,10H2,1H3.
What are the key properties of 7-methyl-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 363.44 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3245528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).