1-[(2R)-2-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone

C22H23N3O3S — CID 25123083

IUPAC1-[(2R)-2-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCOc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cs2)cn1
InChIInChI=1S/C22H23N3O3S/c1-27-20-11-10-16(13-23-20)22-24-18(15-29-22)19-9-5-6-12-25(19)21(26)14-28-17-7-3-2-4-8-17/h2-4,7-8,10-11,13,15,19H,5-6,9,12,14H2,1H3/t19-/m1/s1
InChIKeyLDISUDCYHFQZJV-LJQANCHMSA-N
MW409.51 g/mol
LogP4.35
Rot. Bonds6

About 1-[(2R)-2-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone

1-[(2R)-2-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 25123083) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-[(2R)-2-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID25123083
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name1-[(2R)-2-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCOc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cs2)cn1
InChIInChI=1S/C22H23N3O3S/c1-27-20-11-10-16(13-23-20)22-24-18(15-29-22)19-9-5-6-12-25(19)21(26)14-28-17-7-3-2-4-8-17/h2-4,7-8,10-11,13,15,19H,5-6,9,12,14H2,1H3/t19-/m1/s1
InChIKeyLDISUDCYHFQZJV-LJQANCHMSA-N
XLogP4.35
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone (CID 25123083) is 1-[(2R)-2-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone is COc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cs2)cn1.
What is the InChIKey of 1-[(2R)-2-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is LDISUDCYHFQZJV-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-27-20-11-10-16(13-23-20)22-24-18(15-29-22)19-9-5-6-12-25(19)21(26)14-28-17-7-3-2-4-8-17/h2-4,7-8,10-11,13,15,19H,5-6,9,12,14H2,1H3/t19-/m1/s1.
What are the key properties of 1-[(2R)-2-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 409.51 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 25123083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).