1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one

C14H23N3OS — CID 71871926

IUPAC1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(NCc2cscn2)C(CC)C1
InChIInChI=1S/C14H23N3OS/c1-3-11-8-17(14(18)4-2)6-5-13(11)15-7-12-9-19-10-16-12/h9-11,13,15H,3-8H2,1-2H3
InChIKeyLWXWLAAVQURION-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.27
Rot. Bonds5

About 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one

1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one (PubChem CID 71871926) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one
PubChem CID71871926
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(NCc2cscn2)C(CC)C1
InChIInChI=1S/C14H23N3OS/c1-3-11-8-17(14(18)4-2)6-5-13(11)15-7-12-9-19-10-16-12/h9-11,13,15H,3-8H2,1-2H3
InChIKeyLWXWLAAVQURION-UHFFFAOYSA-N
XLogP2.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one (CID 71871926) is 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(NCc2cscn2)C(CC)C1.
What is the InChIKey of 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is LWXWLAAVQURION-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-11-8-17(14(18)4-2)6-5-13(11)15-7-12-9-19-10-16-12/h9-11,13,15H,3-8H2,1-2H3.
What are the key properties of 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one?
1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 281.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71871926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).