1-[(3S)-1-[6-(4-methoxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one

C22H33N3O3 — CID 95204540

About 1-[(3S)-1-[6-(4-methoxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one

1-[(3S)-1-[6-(4-methoxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one (PubChem CID 95204540) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-[(3S)-1-[6-(4-methoxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one.

Molecular Properties

• Compound Name: 1-[(3S)-1-[6-(4-methoxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
• PubChem CID: 95204540
• Molecular Formula: C22H33N3O3
• Molecular Weight: 387.52 g/mol
• Exact Mass: 387.25
• IUPAC Name: 1-[(3S)-1-[6-(4-methoxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
• SMILES: COC1CCN(c2ccc(C(=O)N3CCC[C@H](C(=O)CC(C)C)C3)cn2)CC1
• InChI: InChI=1S/C22H33N3O3/c1-16(2)13-20(26)18-5-4-10-25(15-18)22(27)17-6-7-21(23-14-17)24-11-8-19(28-3)9-12-24/h6-7,14,16,18-19H,4-5,8-13,15H2,1-3H3/t18-/m0/s1
• InChIKey: SUHCWNZRBUKHSU-SFHVURJKSA-N
• XLogP: 3.16
• TPSA: 62.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.52
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[6-(4-methoxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?

The IUPAC name of 1-[(3S)-1-[6-(4-methoxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one (CID 95204540) is 1-[(3S)-1-[6-(4-methoxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one.

What is the SMILES notation for 1-[(3S)-1-[6-(4-methoxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?

The canonical SMILES for 1-[(3S)-1-[6-(4-methoxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one is COC1CCN(c2ccc(C(=O)N3CCC[C@H](C(=O)CC(C)C)C3)cn2)CC1.

What is the InChIKey of 1-[(3S)-1-[6-(4-methoxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?

The InChIKey is SUHCWNZRBUKHSU-SFHVURJKSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-16(2)13-20(26)18-5-4-10-25(15-18)22(27)17-6-7-21(23-14-17)24-11-8-19(28-3)9-12-24/h6-7,14,16,18-19H,4-5,8-13,15H2,1-3H3/t18-/m0/s1.

What are the key properties of 1-[(3S)-1-[6-(4-methoxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?

1-[(3S)-1-[6-(4-methoxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one has a molecular weight of 387.52 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-1-[6-(4-methoxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one is sourced from PubChem (CID 95204540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).