2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone

C16H24N4O2S — CID 171992978

IUPAC2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
SMILESCOc1cnc(N2CCC(CC(=O)N3CCSCC3)CC2)nc1
InChIInChI=1S/C16H24N4O2S/c1-22-14-11-17-16(18-12-14)20-4-2-13(3-5-20)10-15(21)19-6-8-23-9-7-19/h11-13H,2-10H2,1H3
InChIKeyQLPFZNFVIOCHGM-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.67
Rot. Bonds4

About 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone

2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone (PubChem CID 171992978) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
PubChem CID171992978
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
SMILESCOc1cnc(N2CCC(CC(=O)N3CCSCC3)CC2)nc1
InChIInChI=1S/C16H24N4O2S/c1-22-14-11-17-16(18-12-14)20-4-2-13(3-5-20)10-15(21)19-6-8-23-9-7-19/h11-13H,2-10H2,1H3
InChIKeyQLPFZNFVIOCHGM-UHFFFAOYSA-N
XLogP1.67
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone (CID 171992978) is 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone is COc1cnc(N2CCC(CC(=O)N3CCSCC3)CC2)nc1.
What is the InChIKey of 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone?
The InChIKey is QLPFZNFVIOCHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-22-14-11-17-16(18-12-14)20-4-2-13(3-5-20)10-15(21)19-6-8-23-9-7-19/h11-13H,2-10H2,1H3.
What are the key properties of 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone?
2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone has a molecular weight of 336.46 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 171992978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).