1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one

C17H27N3O2S — CID 110114440

IUPAC1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCc1cnc(C2(C)CCN(C(=O)CCN3CCOCC3)CC2)s1
InChIInChI=1S/C17H27N3O2S/c1-14-13-18-16(23-14)17(2)4-7-20(8-5-17)15(21)3-6-19-9-11-22-12-10-19/h13H,3-12H2,1-2H3
InChIKeyTYJOQYYWZFASBY-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.05
Rot. Bonds4

About 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one

1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 110114440) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID110114440
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCc1cnc(C2(C)CCN(C(=O)CCN3CCOCC3)CC2)s1
InChIInChI=1S/C17H27N3O2S/c1-14-13-18-16(23-14)17(2)4-7-20(8-5-17)15(21)3-6-19-9-11-22-12-10-19/h13H,3-12H2,1-2H3
InChIKeyTYJOQYYWZFASBY-UHFFFAOYSA-N
XLogP2.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one (CID 110114440) is 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one is Cc1cnc(C2(C)CCN(C(=O)CCN3CCOCC3)CC2)s1.
What is the InChIKey of 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is TYJOQYYWZFASBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-14-13-18-16(23-14)17(2)4-7-20(8-5-17)15(21)3-6-19-9-11-22-12-10-19/h13H,3-12H2,1-2H3.
What are the key properties of 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 337.49 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 110114440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).