1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxy-2-methylpropyl]-3-methylpiperidin-2-one

C22H24F2N2O2 — CID 118415412

IUPAC1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxy-2-methylpropyl]-3-methylpiperidin-2-one
SMILESCC1CCCN(CC(C)(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O
InChIInChI=1S/C22H24F2N2O2/c1-14-4-3-9-25(21(14)27)12-22(2,28)13-26-19-7-5-15(23)10-17(19)18-11-16(24)6-8-20(18)26/h5-8,10-11,14,28H,3-4,9,12-13H2,1-2H3
InChIKeyMHMWJYZYTDXZHB-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.08
Rot. Bonds4

About 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxy-2-methylpropyl]-3-methylpiperidin-2-one

1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxy-2-methylpropyl]-3-methylpiperidin-2-one (PubChem CID 118415412) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxy-2-methylpropyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxy-2-methylpropyl]-3-methylpiperidin-2-one
PubChem CID118415412
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxy-2-methylpropyl]-3-methylpiperidin-2-one
SMILESCC1CCCN(CC(C)(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O
InChIInChI=1S/C22H24F2N2O2/c1-14-4-3-9-25(21(14)27)12-22(2,28)13-26-19-7-5-15(23)10-17(19)18-11-16(24)6-8-20(18)26/h5-8,10-11,14,28H,3-4,9,12-13H2,1-2H3
InChIKeyMHMWJYZYTDXZHB-UHFFFAOYSA-N
XLogP4.08
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxy-2-methylpropyl]-3-methylpiperidin-2-one?
The IUPAC name of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxy-2-methylpropyl]-3-methylpiperidin-2-one (CID 118415412) is 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxy-2-methylpropyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxy-2-methylpropyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxy-2-methylpropyl]-3-methylpiperidin-2-one is CC1CCCN(CC(C)(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O.
What is the InChIKey of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxy-2-methylpropyl]-3-methylpiperidin-2-one?
The InChIKey is MHMWJYZYTDXZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c1-14-4-3-9-25(21(14)27)12-22(2,28)13-26-19-7-5-15(23)10-17(19)18-11-16(24)6-8-20(18)26/h5-8,10-11,14,28H,3-4,9,12-13H2,1-2H3.
What are the key properties of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxy-2-methylpropyl]-3-methylpiperidin-2-one?
1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxy-2-methylpropyl]-3-methylpiperidin-2-one has a molecular weight of 386.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxy-2-methylpropyl]-3-methylpiperidin-2-one is sourced from PubChem (CID 118415412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).