(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide

C23H28F2N4O2 — CID 54136823

About (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide

(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide (PubChem CID 54136823) has the molecular formula C23H28F2N4O2 and a molecular weight of 430.50 g/mol. Its IUPAC name is (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide
• PubChem CID: 54136823
• Molecular Formula: C23H28F2N4O2
• Molecular Weight: 430.50 g/mol
• Exact Mass: 430.22
• IUPAC Name: (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide
• SMILES: Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)C3CC(F)(F)C3)CC2)n1
• InChI: InChI=1S/C23H28F2N4O2/c24-22(25)13-17(14-22)23(31,16-5-2-1-3-6-16)21(30)28-18-9-11-29(12-10-18)15-19-7-4-8-20(26)27-19/h1-8,17-18,31H,9-15H2,(H2,26,27)(H,28,30)/t23-/m0/s1
• InChIKey: NYHOHDUCVYKVPI-QHCPKHFHSA-N
• XLogP: 2.68
• TPSA: 91.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.50
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide?

The IUPAC name of (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide (CID 54136823) is (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide.

What is the SMILES notation for (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide?

The canonical SMILES for (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide is Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)C3CC(F)(F)C3)CC2)n1.

What is the InChIKey of (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide?

The InChIKey is NYHOHDUCVYKVPI-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H28F2N4O2/c24-22(25)13-17(14-22)23(31,16-5-2-1-3-6-16)21(30)28-18-9-11-29(12-10-18)15-19-7-4-8-20(26)27-19/h1-8,17-18,31H,9-15H2,(H2,26,27)(H,28,30)/t23-/m0/s1.

What are the key properties of (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide?

(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide has a molecular weight of 430.50 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 54136823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).