1-(5-methyl-1,3-thiazol-2-yl)-6-piperidin-1-ylhexan-1-one

C15H24N2OS — CID 123136795

IUPAC1-(5-methyl-1,3-thiazol-2-yl)-6-piperidin-1-ylhexan-1-one
SMILESCc1cnc(C(=O)CCCCCN2CCCCC2)s1
InChIInChI=1S/C15H24N2OS/c1-13-12-16-15(19-13)14(18)8-4-2-5-9-17-10-6-3-7-11-17/h12H,2-11H2,1H3
InChIKeyTZQAYBZTIZRWQQ-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.68
Rot. Bonds7

About 1-(5-methyl-1,3-thiazol-2-yl)-6-piperidin-1-ylhexan-1-one

1-(5-methyl-1,3-thiazol-2-yl)-6-piperidin-1-ylhexan-1-one (PubChem CID 123136795) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-(5-methyl-1,3-thiazol-2-yl)-6-piperidin-1-ylhexan-1-one.

Molecular Properties

Compound Name1-(5-methyl-1,3-thiazol-2-yl)-6-piperidin-1-ylhexan-1-one
PubChem CID123136795
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-(5-methyl-1,3-thiazol-2-yl)-6-piperidin-1-ylhexan-1-one
SMILESCc1cnc(C(=O)CCCCCN2CCCCC2)s1
InChIInChI=1S/C15H24N2OS/c1-13-12-16-15(19-13)14(18)8-4-2-5-9-17-10-6-3-7-11-17/h12H,2-11H2,1H3
InChIKeyTZQAYBZTIZRWQQ-UHFFFAOYSA-N
XLogP3.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-6-piperidin-1-ylhexan-1-one?
The IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-6-piperidin-1-ylhexan-1-one (CID 123136795) is 1-(5-methyl-1,3-thiazol-2-yl)-6-piperidin-1-ylhexan-1-one.
What is the SMILES notation for 1-(5-methyl-1,3-thiazol-2-yl)-6-piperidin-1-ylhexan-1-one?
The canonical SMILES for 1-(5-methyl-1,3-thiazol-2-yl)-6-piperidin-1-ylhexan-1-one is Cc1cnc(C(=O)CCCCCN2CCCCC2)s1.
What is the InChIKey of 1-(5-methyl-1,3-thiazol-2-yl)-6-piperidin-1-ylhexan-1-one?
The InChIKey is TZQAYBZTIZRWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-13-12-16-15(19-13)14(18)8-4-2-5-9-17-10-6-3-7-11-17/h12H,2-11H2,1H3.
What are the key properties of 1-(5-methyl-1,3-thiazol-2-yl)-6-piperidin-1-ylhexan-1-one?
1-(5-methyl-1,3-thiazol-2-yl)-6-piperidin-1-ylhexan-1-one has a molecular weight of 280.44 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-thiazol-2-yl)-6-piperidin-1-ylhexan-1-one is sourced from PubChem (CID 123136795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).