[3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone

C23H20F6N2O — CID 46103714

IUPAC[3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
SMILESCn1cc(C2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c2ccccc21
InChIInChI=1S/C23H20F6N2O/c1-30-13-19(18-4-2-3-5-20(18)30)14-6-8-31(9-7-14)21(32)15-10-16(22(24,25)26)12-17(11-15)23(27,28)29/h2-5,10-14H,6-9H2,1H3
InChIKeyBRXQBJQINMKNRU-UHFFFAOYSA-N
MW454.41 g/mol
LogP6.24
Rot. Bonds2

About [3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone

[3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone (PubChem CID 46103714) has the molecular formula C23H20F6N2O and a molecular weight of 454.41 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
PubChem CID46103714
Molecular FormulaC23H20F6N2O
Molecular Weight454.41 g/mol
Exact Mass454.15
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
SMILESCn1cc(C2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c2ccccc21
InChIInChI=1S/C23H20F6N2O/c1-30-13-19(18-4-2-3-5-20(18)30)14-6-8-31(9-7-14)21(32)15-10-16(22(24,25)26)12-17(11-15)23(27,28)29/h2-5,10-14H,6-9H2,1H3
InChIKeyBRXQBJQINMKNRU-UHFFFAOYSA-N
XLogP6.24
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.41
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 44765726
furan-2-yl-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
CID 113087188
[4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 25066524
N-cyclopropyl-4-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 113087241
N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 10280183
3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one
CID 46103716
3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole
CID 113087249
[4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone
CID 46090085
1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole
CID 113087267
[4-[1-[(3-fluorophenyl)methyl]indol-3-yl]piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 46090026
(4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 119377027
[7-(2-methylphenyl)-1,4-thiazepan-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121163717

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone (CID 46103714) is [3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone is Cn1cc(C2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c2ccccc21.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone?
The InChIKey is BRXQBJQINMKNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F6N2O/c1-30-13-19(18-4-2-3-5-20(18)30)14-6-8-31(9-7-14)21(32)15-10-16(22(24,25)26)12-17(11-15)23(27,28)29/h2-5,10-14H,6-9H2,1H3.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone?
[3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone has a molecular weight of 454.41 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46103714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).