(3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C23H32N6O — CID 96580711

About (3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

(3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 96580711) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is (3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
• PubChem CID: 96580711
• Molecular Formula: C23H32N6O
• Molecular Weight: 408.55 g/mol
• Exact Mass: 408.26
• IUPAC Name: (3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
• SMILES: Cc1cc(C)nc(N2CCC(N3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)n1
• InChI: InChI=1S/C23H32N6O/c1-17-14-18(2)27-23(26-17)28-12-8-21(9-13-28)29-11-5-6-19(16-29)22(30)25-15-20-7-3-4-10-24-20/h3-4,7,10,14,19,21H,5-6,8-9,11-13,15-16H2,1-2H3,(H,25,30)/t19-/m1/s1
• InChIKey: YREAQNHMVBVOQC-LJQANCHMSA-N
• XLogP: 2.49
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.55
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?

The IUPAC name of (3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 96580711) is (3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is Cc1cc(C)nc(N2CCC(N3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)n1.

What is the InChIKey of (3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?

The InChIKey is YREAQNHMVBVOQC-LJQANCHMSA-N. The full InChI is InChI=1S/C23H32N6O/c1-17-14-18(2)27-23(26-17)28-12-8-21(9-13-28)29-11-5-6-19(16-29)22(30)25-15-20-7-3-4-10-24-20/h3-4,7,10,14,19,21H,5-6,8-9,11-13,15-16H2,1-2H3,(H,25,30)/t19-/m1/s1.

What are the key properties of (3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?

(3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 96580711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).