(2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one

C26H24F3N3O — CID 26183274

IUPAC(2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
SMILESC[C@H](C(=O)n1c2ccccc2c2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C26H24F3N3O/c1-18(25(33)32-23-11-4-2-9-21(23)22-10-3-5-12-24(22)32)30-13-15-31(16-14-30)20-8-6-7-19(17-20)26(27,28)29/h2-12,17-18H,13-16H2,1H3/t18-/m1/s1
InChIKeyNYUOUROUHJNQTQ-GOSISDBHSA-N
MW451.49 g/mol
LogP5.66
Rot. Bonds3

About (2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one

(2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one (PubChem CID 26183274) has the molecular formula C26H24F3N3O and a molecular weight of 451.49 g/mol. Its IUPAC name is (2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
PubChem CID26183274
Molecular FormulaC26H24F3N3O
Molecular Weight451.49 g/mol
Exact Mass451.19
IUPAC Name(2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
SMILESC[C@H](C(=O)n1c2ccccc2c2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C26H24F3N3O/c1-18(25(33)32-23-11-4-2-9-21(23)22-10-3-5-12-24(22)32)30-13-15-31(16-14-30)20-8-6-7-19(17-20)26(27,28)29/h2-12,17-18H,13-16H2,1H3/t18-/m1/s1
InChIKeyNYUOUROUHJNQTQ-GOSISDBHSA-N
XLogP5.66
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.49
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18082732
(2S)-N-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 25384906
(2R)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459892
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18171113
(2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459927
N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 150897993
N-(cyclopropylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18124258
1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-ol
CID 46832362
N-(2,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 50875751
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748
N-[(3-methoxyphenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 55525118
N-(4-chloro-2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 55430380

Frequently Asked Questions

What is the IUPAC name of (2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one (CID 26183274) is (2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one is C[C@H](C(=O)n1c2ccccc2c2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
The InChIKey is NYUOUROUHJNQTQ-GOSISDBHSA-N. The full InChI is InChI=1S/C26H24F3N3O/c1-18(25(33)32-23-11-4-2-9-21(23)22-10-3-5-12-24(22)32)30-13-15-31(16-14-30)20-8-6-7-19(17-20)26(27,28)29/h2-12,17-18H,13-16H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
(2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one has a molecular weight of 451.49 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 26183274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).