1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one

C26H33N3O4S — CID 55672942

About 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one

1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one (PubChem CID 55672942) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one
• PubChem CID: 55672942
• Molecular Formula: C26H33N3O4S
• Molecular Weight: 483.63 g/mol
• Exact Mass: 483.22
• IUPAC Name: 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one
• SMILES: Cc1nc(COc2ccccc2C=CC(=O)N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)cs1
• InChI: InChI=1S/C26H33N3O4S/c1-18-14-29(15-19(2)33-18)26(31)22-10-12-28(13-11-22)25(30)9-8-21-6-4-5-7-24(21)32-16-23-17-34-20(3)27-23/h4-9,17-19,22H,10-16H2,1-3H3
• InChIKey: FMPHVWWBPFWJMM-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 71.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.63
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one?

The IUPAC name of 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one (CID 55672942) is 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one.

What is the SMILES notation for 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one?

The canonical SMILES for 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one is Cc1nc(COc2ccccc2C=CC(=O)N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)cs1.

What is the InChIKey of 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one?

The InChIKey is FMPHVWWBPFWJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-18-14-29(15-19(2)33-18)26(31)22-10-12-28(13-11-22)25(30)9-8-21-6-4-5-7-24(21)32-16-23-17-34-20(3)27-23/h4-9,17-19,22H,10-16H2,1-3H3.

What are the key properties of 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one?

1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one has a molecular weight of 483.63 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one is sourced from PubChem (CID 55672942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).