N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide

C28H33N3O6 — CID 93198755

About N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide

N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 93198755) has the molecular formula C28H33N3O6 and a molecular weight of 507.59 g/mol. Its IUPAC name is N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
• PubChem CID: 93198755
• Molecular Formula: C28H33N3O6
• Molecular Weight: 507.59 g/mol
• Exact Mass: 507.24
• IUPAC Name: N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
• SMILES: O=C(N[C@@H](C(=O)N1CCOCC1)C1CCN(C(=O)CCc2ccccc2)CC1)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C28H33N3O6/c32-25(9-6-20-4-2-1-3-5-20)30-12-10-21(11-13-30)26(28(34)31-14-16-35-17-15-31)29-27(33)22-7-8-23-24(18-22)37-19-36-23/h1-5,7-8,18,21,26H,6,9-17,19H2,(H,29,33)/t26-/m1/s1
• InChIKey: UFSXXOSDLLSYRS-AREMUKBSSA-N
• XLogP: 2.24
• TPSA: 97.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.59
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide?

The IUPAC name of N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide (CID 93198755) is N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide is O=C(N[C@@H](C(=O)N1CCOCC1)C1CCN(C(=O)CCc2ccccc2)CC1)c1ccc2c(c1)OCO2.

What is the InChIKey of N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide?

The InChIKey is UFSXXOSDLLSYRS-AREMUKBSSA-N. The full InChI is InChI=1S/C28H33N3O6/c32-25(9-6-20-4-2-1-3-5-20)30-12-10-21(11-13-30)26(28(34)31-14-16-35-17-15-31)29-27(33)22-7-8-23-24(18-22)37-19-36-23/h1-5,7-8,18,21,26H,6,9-17,19H2,(H,29,33)/t26-/m1/s1.

What are the key properties of N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide?

N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 507.59 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 93198755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).