(3R)-3-hydroxy-3-[(propan-2-ylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one

C19H30N2O2 — CID 42595055

About (3R)-3-hydroxy-3-[(propan-2-ylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one

(3R)-3-hydroxy-3-[(propan-2-ylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one (PubChem CID 42595055) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[(propan-2-ylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one.

Molecular Properties

• Compound Name: (3R)-3-hydroxy-3-[(propan-2-ylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
• PubChem CID: 42595055
• Molecular Formula: C19H30N2O2
• Molecular Weight: 318.46 g/mol
• Exact Mass: 318.23
• IUPAC Name: (3R)-3-hydroxy-3-[(propan-2-ylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
• SMILES: CC(C)NC[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O
• InChI: InChI=1S/C19H30N2O2/c1-14(2)17-8-6-16(7-9-17)12-21-11-5-10-19(23,18(21)22)13-20-15(3)4/h6-9,14-15,20,23H,5,10-13H2,1-4H3/t19-/m1/s1
• InChIKey: WEKQIEUHOVMPJL-LJQANCHMSA-N
• XLogP: 2.66
• TPSA: 52.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.46
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[(propan-2-ylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one?

The IUPAC name of (3R)-3-hydroxy-3-[(propan-2-ylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one (CID 42595055) is (3R)-3-hydroxy-3-[(propan-2-ylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one.

What is the SMILES notation for (3R)-3-hydroxy-3-[(propan-2-ylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one?

The canonical SMILES for (3R)-3-hydroxy-3-[(propan-2-ylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one is CC(C)NC[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O.

What is the InChIKey of (3R)-3-hydroxy-3-[(propan-2-ylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one?

The InChIKey is WEKQIEUHOVMPJL-LJQANCHMSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(2)17-8-6-16(7-9-17)12-21-11-5-10-19(23,18(21)22)13-20-15(3)4/h6-9,14-15,20,23H,5,10-13H2,1-4H3/t19-/m1/s1.

What are the key properties of (3R)-3-hydroxy-3-[(propan-2-ylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one?

(3R)-3-hydroxy-3-[(propan-2-ylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one has a molecular weight of 318.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-hydroxy-3-[(propan-2-ylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 42595055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).