1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C16H18F3N3O — CID 97329098

IUPAC1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2c[nH]c3ccccc23)CCN1CC(F)(F)F
InChIInChI=1S/C16H18F3N3O/c1-11-9-21(6-7-22(11)10-16(17,18)19)15(23)13-8-20-14-5-3-2-4-12(13)14/h2-5,8,11,20H,6-7,9-10H2,1H3/t11-/m1/s1
InChIKeyCTGFMFOZXDPOSY-LLVKDONJSA-N
MW325.33 g/mol
LogP2.88
Rot. Bonds2

About 1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 97329098) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID97329098
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2c[nH]c3ccccc23)CCN1CC(F)(F)F
InChIInChI=1S/C16H18F3N3O/c1-11-9-21(6-7-22(11)10-16(17,18)19)15(23)13-8-20-14-5-3-2-4-12(13)14/h2-5,8,11,20H,6-7,9-10H2,1H3/t11-/m1/s1
InChIKeyCTGFMFOZXDPOSY-LLVKDONJSA-N
XLogP2.88
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone
CID 63605636
N-methyl-N-[2-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 97249030
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803979
1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 90511875
(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
CID 90511665
(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 79036861
3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxylic acid
CID 174236619
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 90511658
1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 61171911
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1H-indol-3-yl)methanone
CID 66210625

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 97329098) is 1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is C[C@@H]1CN(C(=O)c2c[nH]c3ccccc23)CCN1CC(F)(F)F.
What is the InChIKey of 1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is CTGFMFOZXDPOSY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-11-9-21(6-7-22(11)10-16(17,18)19)15(23)13-8-20-14-5-3-2-4-12(13)14/h2-5,8,11,20H,6-7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of 1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 325.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 97329098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).