1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone

C18H24ClN3O2 — CID 134373446

About 1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone

1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone (PubChem CID 134373446) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 134373446
• Molecular Formula: C18H24ClN3O2
• Molecular Weight: 349.86 g/mol
• Exact Mass: 349.16
• IUPAC Name: 1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1
• InChI: InChI=1S/C18H24ClN3O2/c1-11(23)22-6-4-13(5-7-22)18(2,3)17(24)15-9-14(19)8-12-10-20-21-16(12)15/h8-10,13,17,24H,4-7H2,1-3H3,(H,20,21)/t17-/m0/s1
• InChIKey: HTKWDYUHLDNLKS-KRWDZBQOSA-N
• XLogP: 3.53
• TPSA: 69.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.86
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone (CID 134373446) is 1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.

What is the InChIKey of 1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone?

The InChIKey is HTKWDYUHLDNLKS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-11(23)22-6-4-13(5-7-22)18(2,3)17(24)15-9-14(19)8-12-10-20-21-16(12)15/h8-10,13,17,24H,4-7H2,1-3H3,(H,20,21)/t17-/m0/s1.

What are the key properties of 1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone?

1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone has a molecular weight of 349.86 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 134373446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).