1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone

C22H22F3N3O2 — CID 141331067

IUPAC1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1
InChIInChI=1S/C22H22F3N3O2/c23-22(24,25)15-30-18-7-5-16(6-8-18)14-27-9-11-28(12-10-27)21(29)20-13-17-3-1-2-4-19(17)26-20/h1-8,13,26H,9-12,14-15H2
InChIKeyCIQVCTVGKNIKLH-UHFFFAOYSA-N
MW417.43 g/mol
LogP4.07
Rot. Bonds5

About 1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone

1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 141331067) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is 1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID141331067
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC Name1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1
InChIInChI=1S/C22H22F3N3O2/c23-22(24,25)15-30-18-7-5-16(6-8-18)14-27-9-11-28(12-10-27)21(29)20-13-17-3-1-2-4-19(17)26-20/h1-8,13,26H,9-12,14-15H2
InChIKeyCIQVCTVGKNIKLH-UHFFFAOYSA-N
XLogP4.07
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 42572629
1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226484
1H-indol-2-yl-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 26313190
[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 71940503
(4-benzylpiperazin-1-yl)-[3-(2,2,2-trifluoroethoxy)phenyl]methanone
CID 19290787
1-(1H-indole-2-carbonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 42467254
(5-methyl-1H-indol-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 122434949
[4-(2,2-dimethoxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 167764803
1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037973
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9184656
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 29129307

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone (CID 141331067) is 1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1.
What is the InChIKey of 1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is CIQVCTVGKNIKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c23-22(24,25)15-30-18-7-5-16(6-8-18)14-27-9-11-28(12-10-27)21(29)20-13-17-3-1-2-4-19(17)26-20/h1-8,13,26H,9-12,14-15H2.
What are the key properties of 1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone?
1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 417.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 141331067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).