1-(3-aminopiperidin-1-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethanone

C14H23N3OS — CID 119381807

IUPAC1-(3-aminopiperidin-1-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethanone
SMILESCC(C)(C)c1nc(CC(=O)N2CCCC(N)C2)cs1
InChIInChI=1S/C14H23N3OS/c1-14(2,3)13-16-11(9-19-13)7-12(18)17-6-4-5-10(15)8-17/h9-10H,4-8,15H2,1-3H3
InChIKeyPSTXZVCOQHECHK-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.93
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethanone

1-(3-aminopiperidin-1-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethanone (PubChem CID 119381807) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethanone
PubChem CID119381807
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethanone
SMILESCC(C)(C)c1nc(CC(=O)N2CCCC(N)C2)cs1
InChIInChI=1S/C14H23N3OS/c1-14(2,3)13-16-11(9-19-13)7-12(18)17-6-4-5-10(15)8-17/h9-10H,4-8,15H2,1-3H3
InChIKeyPSTXZVCOQHECHK-UHFFFAOYSA-N
XLogP1.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethanone (CID 119381807) is 1-(3-aminopiperidin-1-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethanone is CC(C)(C)c1nc(CC(=O)N2CCCC(N)C2)cs1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is PSTXZVCOQHECHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-14(2,3)13-16-11(9-19-13)7-12(18)17-6-4-5-10(15)8-17/h9-10H,4-8,15H2,1-3H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethanone?
1-(3-aminopiperidin-1-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 281.42 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 119381807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).