[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone

C22H22F3N3O — CID 154264295

IUPAC[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCN1CCC(c2cn(N)c3ccc(C(=O)c4cccc(C(F)(F)F)c4)cc23)CC1
InChIInChI=1S/C22H22F3N3O/c1-27-9-7-14(8-10-27)19-13-28(26)20-6-5-16(12-18(19)20)21(29)15-3-2-4-17(11-15)22(23,24)25/h2-6,11-14H,7-10,26H2,1H3
InChIKeyOYBGUVRXCVHIIJ-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.41
Rot. Bonds3

About [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone

[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 154264295) has the molecular formula C22H22F3N3O and a molecular weight of 401.43 g/mol. Its IUPAC name is [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID154264295
Molecular FormulaC22H22F3N3O
Molecular Weight401.43 g/mol
Exact Mass401.17
IUPAC Name[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCN1CCC(c2cn(N)c3ccc(C(=O)c4cccc(C(F)(F)F)c4)cc23)CC1
InChIInChI=1S/C22H22F3N3O/c1-27-9-7-14(8-10-27)19-13-28(26)20-6-5-16(12-18(19)20)21(29)15-3-2-4-17(11-15)22(23,24)25/h2-6,11-14H,7-10,26H2,1H3
InChIKeyOYBGUVRXCVHIIJ-UHFFFAOYSA-N
XLogP4.41
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone
CID 67637123
4-[1-amino-3-(1-methylpiperidin-4-yl)indole-5-carbonyl]benzonitrile
CID 67639449
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(4-chlorophenyl)methanone;(E)-but-2-enedioic acid
CID 67638184
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(4-methoxyphenyl)methanone;(E)-but-2-enedioic acid
CID 67638305
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone
CID 67639351
3-(1-methylpiperidin-4-yl)-5-methylsulfonylindol-1-amine
CID 174415365
[1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone
CID 151518551
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
[3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
CID 46103714
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide
CID 134537543

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 154264295) is [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone is CN1CCC(c2cn(N)c3ccc(C(=O)c4cccc(C(F)(F)F)c4)cc23)CC1.
What is the InChIKey of [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is OYBGUVRXCVHIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O/c1-27-9-7-14(8-10-27)19-13-28(26)20-6-5-16(12-18(19)20)21(29)15-3-2-4-17(11-15)22(23,24)25/h2-6,11-14H,7-10,26H2,1H3.
What are the key properties of [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 401.43 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 154264295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).