[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone

C23H23F3N2O — CID 170857355

IUPAC[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCN1CCCCC1Cn1cc(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C23H23F3N2O/c1-27-13-5-4-6-18(27)14-28-15-20(19-7-2-3-8-21(19)28)22(29)16-9-11-17(12-10-16)23(24,25)26/h2-3,7-12,15,18H,4-6,13-14H2,1H3
InChIKeyYNRABCHBEREMMS-UHFFFAOYSA-N
MW400.44 g/mol
LogP5.38
Rot. Bonds4

About [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone

[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 170857355) has the molecular formula C23H23F3N2O and a molecular weight of 400.44 g/mol. Its IUPAC name is [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID170857355
Molecular FormulaC23H23F3N2O
Molecular Weight400.44 g/mol
Exact Mass400.18
IUPAC Name[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCN1CCCCC1Cn1cc(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C23H23F3N2O/c1-27-13-5-4-6-18(27)14-28-15-20(19-7-2-3-8-21(19)28)22(29)16-9-11-17(12-10-16)23(24,25)26/h2-3,7-12,15,18H,4-6,13-14H2,1H3
InChIKeyYNRABCHBEREMMS-UHFFFAOYSA-N
XLogP5.38
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 170857353
(2-iodophenyl)-[1-[[(2S)-1-methylpiperidin-2-yl]methyl]indol-3-yl]methanone
CID 11612272
(4-bromonaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
CID 11619558
(4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
CID 11690129
1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
CID 10293794
1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid
CID 67255296
(1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate
CID 19891962
2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone
CID 67255523
1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide
CID 167312296
[1-[(4-methylmorpholin-3-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone;hydrochloride
CID 18968769
(4-methylphenyl)-(1-propylindol-3-yl)methanone
CID 170857121
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 170857355) is [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone is CN1CCCCC1Cn1cc(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is YNRABCHBEREMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O/c1-27-13-5-4-6-18(27)14-28-15-20(19-7-2-3-8-21(19)28)22(29)16-9-11-17(12-10-16)23(24,25)26/h2-3,7-12,15,18H,4-6,13-14H2,1H3.
What are the key properties of [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 400.44 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 170857355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).