(2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C23H27N5O — CID 97276167

About (2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

(2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 97276167) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is (2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: (2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 97276167
• Molecular Formula: C23H27N5O
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.22
• IUPAC Name: (2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• SMILES: CN[C@@H](C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1)c1ccccc1
• InChI: InChI=1S/C23H27N5O/c1-24-21(19-5-3-2-4-6-19)23(29)27-14-9-20(10-15-27)22-26-13-16-28(22)17-18-7-11-25-12-8-18/h2-8,11-13,16,20-21,24H,9-10,14-15,17H2,1H3/t21-/m1/s1
• InChIKey: MXRRDHHHXQGXEU-OAQYLSRUSA-N
• XLogP: 2.99
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of (2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 97276167) is (2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for (2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for (2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is CN[C@@H](C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1)c1ccccc1.

What is the InChIKey of (2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The InChIKey is MXRRDHHHXQGXEU-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N5O/c1-24-21(19-5-3-2-4-6-19)23(29)27-14-9-20(10-15-27)22-26-13-16-28(22)17-18-7-11-25-12-8-18/h2-8,11-13,16,20-21,24H,9-10,14-15,17H2,1H3/t21-/m1/s1.

What are the key properties of (2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

(2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 389.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 97276167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).