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

C15H25N3OS — CID 71927520

IUPAC2-methyl-1-[3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]propan-1-one
SMILESCc1ncsc1CNC1CCN(C(=O)C(C)C)CC1C
InChIInChI=1S/C15H25N3OS/c1-10(2)15(19)18-6-5-13(11(3)8-18)16-7-14-12(4)17-9-20-14/h9-11,13,16H,5-8H2,1-4H3
InChIKeyVHBZKHPKJJPLTN-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.43
Rot. Bonds4

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

2-methyl-1-[3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]propan-1-one (PubChem CID 71927520) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-methyl-1-[3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]propan-1-one
PubChem CID71927520
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-methyl-1-[3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]propan-1-one
SMILESCc1ncsc1CNC1CCN(C(=O)C(C)C)CC1C
InChIInChI=1S/C15H25N3OS/c1-10(2)15(19)18-6-5-13(11(3)8-18)16-7-14-12(4)17-9-20-14/h9-11,13,16H,5-8H2,1-4H3
InChIKeyVHBZKHPKJJPLTN-UHFFFAOYSA-N
XLogP2.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]propan-1-one (CID 71927520) is 2-methyl-1-[3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]propan-1-one is Cc1ncsc1CNC1CCN(C(=O)C(C)C)CC1C.
What is the InChIKey of 2-methyl-1-[3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]propan-1-one?
The InChIKey is VHBZKHPKJJPLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-10(2)15(19)18-6-5-13(11(3)8-18)16-7-14-12(4)17-9-20-14/h9-11,13,16H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-[3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]propan-1-one?
2-methyl-1-[3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]propan-1-one has a molecular weight of 295.45 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71927520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).