3-(4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one

C20H20FN3O — CID 3457995

IUPAC3-(4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one
SMILESO=C1/C(=N\c2ccc(F)cc2)c2ccccc2N1CN1CCCCC1
InChIInChI=1S/C20H20FN3O/c21-15-8-10-16(11-9-15)22-19-17-6-2-3-7-18(17)24(20(19)25)14-23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2/b22-19-
InChIKeyGRJXNLDOFBNMHM-QOCHGBHMSA-N
MW337.40 g/mol
LogP3.74
Rot. Bonds3

About 3-(4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one

3-(4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one (PubChem CID 3457995) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one
PubChem CID3457995
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name3-(4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one
SMILESO=C1/C(=N\c2ccc(F)cc2)c2ccccc2N1CN1CCCCC1
InChIInChI=1S/C20H20FN3O/c21-15-8-10-16(11-9-15)22-19-17-6-2-3-7-18(17)24(20(19)25)14-23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2/b22-19-
InChIKeyGRJXNLDOFBNMHM-QOCHGBHMSA-N
XLogP3.74
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one?
The IUPAC name of 3-(4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one (CID 3457995) is 3-(4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one?
The canonical SMILES for 3-(4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one is O=C1/C(=N\c2ccc(F)cc2)c2ccccc2N1CN1CCCCC1.
What is the InChIKey of 3-(4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one?
The InChIKey is GRJXNLDOFBNMHM-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-15-8-10-16(11-9-15)22-19-17-6-2-3-7-18(17)24(20(19)25)14-23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2/b22-19-.
What are the key properties of 3-(4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one?
3-(4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one has a molecular weight of 337.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one is sourced from PubChem (CID 3457995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).