(1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C22H21F3N2O — CID 71893736

IUPAC(1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2n1Cc1ccccc1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C22H21F3N2O/c23-22(24,25)18-10-6-12-26(15-18)21(28)20-13-17-9-4-5-11-19(17)27(20)14-16-7-2-1-3-8-16/h1-5,7-9,11,13,18H,6,10,12,14-15H2
InChIKeyHYPVDOYCCHJDTR-UHFFFAOYSA-N
MW386.42 g/mol
LogP5.10
Rot. Bonds3

About (1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 71893736) has the molecular formula C22H21F3N2O and a molecular weight of 386.42 g/mol. Its IUPAC name is (1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID71893736
Molecular FormulaC22H21F3N2O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name(1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2n1Cc1ccccc1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C22H21F3N2O/c23-22(24,25)18-10-6-12-26(15-18)21(28)20-13-17-9-4-5-11-19(17)27(20)14-16-7-2-1-3-8-16/h1-5,7-9,11,13,18H,6,10,12,14-15H2
InChIKeyHYPVDOYCCHJDTR-UHFFFAOYSA-N
XLogP5.10
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.42
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(1-benzylindole-2-carbonyl)pyrrolidine-3-carboxamide
CID 94512799
1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide
CID 56726565
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 29140119
naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51556451
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 55923290
2-benzyl-6-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 51952657
3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid
CID 129414879
[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone
CID 70799314
[4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60918116
1-[(4-aminophenyl)methyl]indole-2-carboxylic acid;2,2,2-trifluoroacetamide
CID 161133236
(3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 25161591
(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 40856160

Frequently Asked Questions

What is the IUPAC name of (1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 71893736) is (1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1cc2ccccc2n1Cc1ccccc1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is HYPVDOYCCHJDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O/c23-22(24,25)18-10-6-12-26(15-18)21(28)20-13-17-9-4-5-11-19(17)27(20)14-16-7-2-1-3-8-16/h1-5,7-9,11,13,18H,6,10,12,14-15H2.
What are the key properties of (1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 386.42 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 71893736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).