N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide

C23H30N4O3S — CID 43050113

About N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 43050113) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
• PubChem CID: 43050113
• Molecular Formula: C23H30N4O3S
• Molecular Weight: 442.59 g/mol
• Exact Mass: 442.20
• IUPAC Name: N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
• SMILES: CC1CC(C)CN(Cc2csc(NC(=O)c3cccc(NC(=O)C4CCCO4)c3)n2)C1
• InChI: InChI=1S/C23H30N4O3S/c1-15-9-16(2)12-27(11-15)13-19-14-31-23(25-19)26-21(28)17-5-3-6-18(10-17)24-22(29)20-7-4-8-30-20/h3,5-6,10,14-16,20H,4,7-9,11-13H2,1-2H3,(H,24,29)(H,25,26,28)
• InChIKey: VBVICMCNHBZHFS-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.59
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide?

The IUPAC name of N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide (CID 43050113) is N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide.

What is the SMILES notation for N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide?

The canonical SMILES for N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide is CC1CC(C)CN(Cc2csc(NC(=O)c3cccc(NC(=O)C4CCCO4)c3)n2)C1.

What is the InChIKey of N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide?

The InChIKey is VBVICMCNHBZHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-15-9-16(2)12-27(11-15)13-19-14-31-23(25-19)26-21(28)17-5-3-6-18(10-17)24-22(29)20-7-4-8-30-20/h3,5-6,10,14-16,20H,4,7-9,11-13H2,1-2H3,(H,24,29)(H,25,26,28).

What are the key properties of N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide?

N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 442.59 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 43050113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).