3-[(3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide

C24H33N3O4 — CID 42148033

About 3-[(3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide

3-[(3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 42148033) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-[(3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

• Compound Name: 3-[(3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
• PubChem CID: 42148033
• Molecular Formula: C24H33N3O4
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.25
• IUPAC Name: 3-[(3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
• SMILES: CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)C2=CC(=O)CC(C)(C)O2)C1
• InChI: InChI=1S/C24H33N3O4/c1-24(2)16-20(28)15-21(31-24)23(30)27-13-6-7-18(17-27)9-10-22(29)26(3)14-11-19-8-4-5-12-25-19/h4-5,8,12,15,18H,6-7,9-11,13-14,16-17H2,1-3H3/t18-/m1/s1
• InChIKey: XTWIBXNUIAPUSA-GOSISDBHSA-N
• XLogP: 2.75
• TPSA: 79.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?

The IUPAC name of 3-[(3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide (CID 42148033) is 3-[(3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide.

What is the SMILES notation for 3-[(3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?

The canonical SMILES for 3-[(3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide is CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)C2=CC(=O)CC(C)(C)O2)C1.

What is the InChIKey of 3-[(3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?

The InChIKey is XTWIBXNUIAPUSA-GOSISDBHSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-24(2)16-20(28)15-21(31-24)23(30)27-13-6-7-18(17-27)9-10-22(29)26(3)14-11-19-8-4-5-12-25-19/h4-5,8,12,15,18H,6-7,9-11,13-14,16-17H2,1-3H3/t18-/m1/s1.

What are the key properties of 3-[(3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?

3-[(3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 427.55 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 42148033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).