4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide

C16H19N3O2S — CID 119399884

IUPAC4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(-c3nccs3)c2)CCNCC1
InChIInChI=1S/C16H19N3O2S/c1-21-16(5-7-17-8-6-16)15(20)19-13-4-2-3-12(11-13)14-18-9-10-22-14/h2-4,9-11,17H,5-8H2,1H3,(H,19,20)
InChIKeyXNKIPUJZRHBTRA-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.52
Rot. Bonds4

About 4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide

4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 119399884) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
PubChem CID119399884
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(-c3nccs3)c2)CCNCC1
InChIInChI=1S/C16H19N3O2S/c1-21-16(5-7-17-8-6-16)15(20)19-13-4-2-3-12(11-13)14-18-9-10-22-14/h2-4,9-11,17H,5-8H2,1H3,(H,19,20)
InChIKeyXNKIPUJZRHBTRA-UHFFFAOYSA-N
XLogP2.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide (CID 119399884) is 4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide is COC1(C(=O)Nc2cccc(-c3nccs3)c2)CCNCC1.
What is the InChIKey of 4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is XNKIPUJZRHBTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-21-16(5-7-17-8-6-16)15(20)19-13-4-2-3-12(11-13)14-18-9-10-22-14/h2-4,9-11,17H,5-8H2,1H3,(H,19,20).
What are the key properties of 4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide?
4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119399884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).