2-ethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide

C18H28N4OS — CID 71869845

IUPAC2-ethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide
SMILESCCC1CN(C(=O)NC2CCN(c3cccc(C)n3)CC2)CCS1
InChIInChI=1S/C18H28N4OS/c1-3-16-13-22(11-12-24-16)18(23)20-15-7-9-21(10-8-15)17-6-4-5-14(2)19-17/h4-6,15-16H,3,7-13H2,1-2H3,(H,20,23)
InChIKeyLYJPFSQCGRPTDJ-UHFFFAOYSA-N
MW348.52 g/mol
LogP2.90
Rot. Bonds3

About 2-ethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide

2-ethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide (PubChem CID 71869845) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is 2-ethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide
PubChem CID71869845
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name2-ethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide
SMILESCCC1CN(C(=O)NC2CCN(c3cccc(C)n3)CC2)CCS1
InChIInChI=1S/C18H28N4OS/c1-3-16-13-22(11-12-24-16)18(23)20-15-7-9-21(10-8-15)17-6-4-5-14(2)19-17/h4-6,15-16H,3,7-13H2,1-2H3,(H,20,23)
InChIKeyLYJPFSQCGRPTDJ-UHFFFAOYSA-N
XLogP2.90
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide?
The IUPAC name of 2-ethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide (CID 71869845) is 2-ethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide is CCC1CN(C(=O)NC2CCN(c3cccc(C)n3)CC2)CCS1.
What is the InChIKey of 2-ethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide?
The InChIKey is LYJPFSQCGRPTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-3-16-13-22(11-12-24-16)18(23)20-15-7-9-21(10-8-15)17-6-4-5-14(2)19-17/h4-6,15-16H,3,7-13H2,1-2H3,(H,20,23).
What are the key properties of 2-ethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide?
2-ethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide has a molecular weight of 348.52 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 71869845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).