1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone

C23H24F3N5O — CID 3229070

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone
SMILESCC1Cc2ccccc2N1C(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C23H24F3N5O/c1-15-12-16-4-2-3-5-20(16)30(15)22(32)14-29-10-8-18(9-11-29)31-21-7-6-17(23(24,25)26)13-19(21)27-28-31/h2-7,13,15,18H,8-12,14H2,1H3
InChIKeyGCPQPOUIAUKDFC-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.06
Rot. Bonds3

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 3229070) has the molecular formula C23H24F3N5O and a molecular weight of 443.47 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone
PubChem CID3229070
Molecular FormulaC23H24F3N5O
Molecular Weight443.47 g/mol
Exact Mass443.19
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone
SMILESCC1Cc2ccccc2N1C(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C23H24F3N5O/c1-15-12-16-4-2-3-5-20(16)30(15)22(32)14-29-10-8-18(9-11-29)31-21-7-6-17(23(24,25)26)13-19(21)27-28-31/h2-7,13,15,18H,8-12,14H2,1H3
InChIKeyGCPQPOUIAUKDFC-UHFFFAOYSA-N
XLogP4.06
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone (CID 3229070) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone is CC1Cc2ccccc2N1C(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is GCPQPOUIAUKDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O/c1-15-12-16-4-2-3-5-20(16)30(15)22(32)14-29-10-8-18(9-11-29)31-21-7-6-17(23(24,25)26)13-19(21)27-28-31/h2-7,13,15,18H,8-12,14H2,1H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 443.47 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 3229070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).