1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one

C21H20F3N3O — CID 3463607

IUPAC1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
SMILESO=C1/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc2N1CN1CCCCC1
InChIInChI=1S/C21H20F3N3O/c22-21(23,24)15-7-6-8-16(13-15)25-19-17-9-2-3-10-18(17)27(20(19)28)14-26-11-4-1-5-12-26/h2-3,6-10,13H,1,4-5,11-12,14H2/b25-19-
InChIKeyFTMHXFWXUOVYBB-PLRJNAJWSA-N
MW387.41 g/mol
LogP4.62
Rot. Bonds3

About 1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one

1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one (PubChem CID 3463607) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is 1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one.

Molecular Properties

Compound Name1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
PubChem CID3463607
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
SMILESO=C1/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc2N1CN1CCCCC1
InChIInChI=1S/C21H20F3N3O/c22-21(23,24)15-7-6-8-16(13-15)25-19-17-9-2-3-10-18(17)27(20(19)28)14-26-11-4-1-5-12-26/h2-3,6-10,13H,1,4-5,11-12,14H2/b25-19-
InChIKeyFTMHXFWXUOVYBB-PLRJNAJWSA-N
XLogP4.62
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 1041520
1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 17386938
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 10452413
(3Z)-1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one
CID 22209667
3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
CID 1254994
3-(3-bromophenyl)imino-1-[(3-methylpiperidin-1-yl)methyl]indol-2-one
CID 17370095
1-[(4-benzylpiperidin-1-yl)methyl]-3-(3-fluorophenyl)iminoindol-2-one
CID 3611317
3-(3-bromophenyl)imino-1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]indol-2-one
CID 1239300
3-(3-chlorophenyl)imino-1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]indol-2-one
CID 1281804
1-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 7029286
1-[(4-benzylpiperazin-1-yl)methyl]-3-[4-[[1-[(4-benzylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]phenyl]iminoindol-2-one
CID 100817066
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one
CID 1018072

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
The IUPAC name of 1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one (CID 3463607) is 1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one.
What is the SMILES notation for 1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
The canonical SMILES for 1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one is O=C1/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc2N1CN1CCCCC1.
What is the InChIKey of 1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
The InChIKey is FTMHXFWXUOVYBB-PLRJNAJWSA-N. The full InChI is InChI=1S/C21H20F3N3O/c22-21(23,24)15-7-6-8-16(13-15)25-19-17-9-2-3-10-18(17)27(20(19)28)14-26-11-4-1-5-12-26/h2-3,6-10,13H,1,4-5,11-12,14H2/b25-19-.
What are the key properties of 1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one has a molecular weight of 387.41 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one is sourced from PubChem (CID 3463607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).