1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine

C23H34N4O — CID 97271472

About 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine

1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 97271472) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

• Compound Name: 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
• PubChem CID: 97271472
• Molecular Formula: C23H34N4O
• Molecular Weight: 382.55 g/mol
• Exact Mass: 382.27
• IUPAC Name: 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
• SMILES: Cc1cc(CN(Cc2cccnc2)C[C@H]2CCCN(C3CCCCC3)C2)on1
• InChI: InChI=1S/C23H34N4O/c1-19-13-23(28-25-19)18-26(15-20-7-5-11-24-14-20)16-21-8-6-12-27(17-21)22-9-3-2-4-10-22/h5,7,11,13-14,21-22H,2-4,6,8-10,12,15-18H2,1H3/t21-/m1/s1
• InChIKey: OYESJMUXSVPJPA-OAQYLSRUSA-N
• XLogP: 4.42
• TPSA: 45.40 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.55
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine?

The IUPAC name of 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine (CID 97271472) is 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine.

What is the SMILES notation for 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine?

The canonical SMILES for 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine is Cc1cc(CN(Cc2cccnc2)C[C@H]2CCCN(C3CCCCC3)C2)on1.

What is the InChIKey of 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine?

The InChIKey is OYESJMUXSVPJPA-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H34N4O/c1-19-13-23(28-25-19)18-26(15-20-7-5-11-24-14-20)16-21-8-6-12-27(17-21)22-9-3-2-4-10-22/h5,7,11,13-14,21-22H,2-4,6,8-10,12,15-18H2,1H3/t21-/m1/s1.

What are the key properties of 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine?

1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 382.55 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 97271472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).