1-[1-[1-(9H-fluoren-2-yl)ethyl]piperidin-4-yl]-3H-indol-2-one

C28H28N2O — CID 11165726

IUPAC1-[1-[1-(9H-fluoren-2-yl)ethyl]piperidin-4-yl]-3H-indol-2-one
SMILESCC(c1ccc2c(c1)Cc1ccccc1-2)N1CCC(N2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C28H28N2O/c1-19(20-10-11-26-23(16-20)17-21-6-2-4-8-25(21)26)29-14-12-24(13-15-29)30-27-9-5-3-7-22(27)18-28(30)31/h2-11,16,19,24H,12-15,17-18H2,1H3
InChIKeyQPOLDKMLCWYJNP-UHFFFAOYSA-N
MW408.55 g/mol
LogP5.37
Rot. Bonds3

About 1-[1-[1-(9H-fluoren-2-yl)ethyl]piperidin-4-yl]-3H-indol-2-one

1-[1-[1-(9H-fluoren-2-yl)ethyl]piperidin-4-yl]-3H-indol-2-one (PubChem CID 11165726) has the molecular formula C28H28N2O and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[1-[1-(9H-fluoren-2-yl)ethyl]piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-[1-(9H-fluoren-2-yl)ethyl]piperidin-4-yl]-3H-indol-2-one
PubChem CID11165726
Molecular FormulaC28H28N2O
Molecular Weight408.55 g/mol
Exact Mass408.22
IUPAC Name1-[1-[1-(9H-fluoren-2-yl)ethyl]piperidin-4-yl]-3H-indol-2-one
SMILESCC(c1ccc2c(c1)Cc1ccccc1-2)N1CCC(N2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C28H28N2O/c1-19(20-10-11-26-23(16-20)17-21-6-2-4-8-25(21)26)29-14-12-24(13-15-29)30-27-9-5-3-7-22(27)18-28(30)31/h2-11,16,19,24H,12-15,17-18H2,1H3
InChIKeyQPOLDKMLCWYJNP-UHFFFAOYSA-N
XLogP5.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(9H-fluoren-2-yl)ethyl]piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-[1-(9H-fluoren-2-yl)ethyl]piperidin-4-yl]-3H-indol-2-one (CID 11165726) is 1-[1-[1-(9H-fluoren-2-yl)ethyl]piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-[1-(9H-fluoren-2-yl)ethyl]piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-[1-(9H-fluoren-2-yl)ethyl]piperidin-4-yl]-3H-indol-2-one is CC(c1ccc2c(c1)Cc1ccccc1-2)N1CCC(N2C(=O)Cc3ccccc32)CC1.
What is the InChIKey of 1-[1-[1-(9H-fluoren-2-yl)ethyl]piperidin-4-yl]-3H-indol-2-one?
The InChIKey is QPOLDKMLCWYJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O/c1-19(20-10-11-26-23(16-20)17-21-6-2-4-8-25(21)26)29-14-12-24(13-15-29)30-27-9-5-3-7-22(27)18-28(30)31/h2-11,16,19,24H,12-15,17-18H2,1H3.
What are the key properties of 1-[1-[1-(9H-fluoren-2-yl)ethyl]piperidin-4-yl]-3H-indol-2-one?
1-[1-[1-(9H-fluoren-2-yl)ethyl]piperidin-4-yl]-3H-indol-2-one has a molecular weight of 408.55 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(9H-fluoren-2-yl)ethyl]piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 11165726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).