1-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C15H17N3OS — CID 4084597

IUPAC1-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C15H17N3OS/c16-14(19)12-6-8-18(9-7-12)15-17-13(10-20-15)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,16,19)
InChIKeyRJXZKISQBUFFDL-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.51
Rot. Bonds3

About 1-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 4084597) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID4084597
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C15H17N3OS/c16-14(19)12-6-8-18(9-7-12)15-17-13(10-20-15)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,16,19)
InChIKeyRJXZKISQBUFFDL-UHFFFAOYSA-N
XLogP2.51
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 4084597) is 1-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 1-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is RJXZKISQBUFFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c16-14(19)12-6-8-18(9-7-12)15-17-13(10-20-15)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,16,19).
What are the key properties of 1-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 4084597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).