3-[4-hydroxy-1-(oxan-4-yl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one

C23H33N3O3 — CID 160829370

IUPAC3-[4-hydroxy-1-(oxan-4-yl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one
SMILESCC(C)n1cc2cccc(C(=O)CCC3(O)CCN(C4CCOCC4)CC3)c2n1
InChIInChI=1S/C23H33N3O3/c1-17(2)26-16-18-4-3-5-20(22(18)24-26)21(27)6-9-23(28)10-12-25(13-11-23)19-7-14-29-15-8-19/h3-5,16-17,19,28H,6-15H2,1-2H3
InChIKeySGPDEWUHNQFQSU-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.59
Rot. Bonds6

About 3-[4-hydroxy-1-(oxan-4-yl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one

3-[4-hydroxy-1-(oxan-4-yl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one (PubChem CID 160829370) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-[4-hydroxy-1-(oxan-4-yl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-hydroxy-1-(oxan-4-yl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one
PubChem CID160829370
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name3-[4-hydroxy-1-(oxan-4-yl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one
SMILESCC(C)n1cc2cccc(C(=O)CCC3(O)CCN(C4CCOCC4)CC3)c2n1
InChIInChI=1S/C23H33N3O3/c1-17(2)26-16-18-4-3-5-20(22(18)24-26)21(27)6-9-23(28)10-12-25(13-11-23)19-7-14-29-15-8-19/h3-5,16-17,19,28H,6-15H2,1-2H3
InChIKeySGPDEWUHNQFQSU-UHFFFAOYSA-N
XLogP3.59
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-1-(oxan-4-yl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one?
The IUPAC name of 3-[4-hydroxy-1-(oxan-4-yl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one (CID 160829370) is 3-[4-hydroxy-1-(oxan-4-yl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one.
What is the SMILES notation for 3-[4-hydroxy-1-(oxan-4-yl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one?
The canonical SMILES for 3-[4-hydroxy-1-(oxan-4-yl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one is CC(C)n1cc2cccc(C(=O)CCC3(O)CCN(C4CCOCC4)CC3)c2n1.
What is the InChIKey of 3-[4-hydroxy-1-(oxan-4-yl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one?
The InChIKey is SGPDEWUHNQFQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-17(2)26-16-18-4-3-5-20(22(18)24-26)21(27)6-9-23(28)10-12-25(13-11-23)19-7-14-29-15-8-19/h3-5,16-17,19,28H,6-15H2,1-2H3.
What are the key properties of 3-[4-hydroxy-1-(oxan-4-yl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one?
3-[4-hydroxy-1-(oxan-4-yl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one has a molecular weight of 399.54 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-1-(oxan-4-yl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one is sourced from PubChem (CID 160829370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).