N-[4-benzyl-3-(2,2,2-trifluoroacetyl)piperidin-1-yl]-1H-indole-6-carboxamide

C23H22F3N3O2 — CID 54374768

IUPACN-[4-benzyl-3-(2,2,2-trifluoroacetyl)piperidin-1-yl]-1H-indole-6-carboxamide
SMILESO=C(NN1CCC(Cc2ccccc2)C(C(=O)C(F)(F)F)C1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)21(30)19-14-29(11-9-17(19)12-15-4-2-1-3-5-15)28-22(31)18-7-6-16-8-10-27-20(16)13-18/h1-8,10,13,17,19,27H,9,11-12,14H2,(H,28,31)
InChIKeyUVSLRAUFIPREAQ-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.12
Rot. Bonds5

About N-[4-benzyl-3-(2,2,2-trifluoroacetyl)piperidin-1-yl]-1H-indole-6-carboxamide

N-[4-benzyl-3-(2,2,2-trifluoroacetyl)piperidin-1-yl]-1H-indole-6-carboxamide (PubChem CID 54374768) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-[4-benzyl-3-(2,2,2-trifluoroacetyl)piperidin-1-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[4-benzyl-3-(2,2,2-trifluoroacetyl)piperidin-1-yl]-1H-indole-6-carboxamide
PubChem CID54374768
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC NameN-[4-benzyl-3-(2,2,2-trifluoroacetyl)piperidin-1-yl]-1H-indole-6-carboxamide
SMILESO=C(NN1CCC(Cc2ccccc2)C(C(=O)C(F)(F)F)C1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)21(30)19-14-29(11-9-17(19)12-15-4-2-1-3-5-15)28-22(31)18-7-6-16-8-10-27-20(16)13-18/h1-8,10,13,17,19,27H,9,11-12,14H2,(H,28,31)
InChIKeyUVSLRAUFIPREAQ-UHFFFAOYSA-N
XLogP4.12
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-benzyl-3-(2,2,2-trifluoroacetyl)piperidin-1-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-[4-benzyl-3-(2,2,2-trifluoroacetyl)piperidin-1-yl]-1H-indole-6-carboxamide (CID 54374768) is N-[4-benzyl-3-(2,2,2-trifluoroacetyl)piperidin-1-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[4-benzyl-3-(2,2,2-trifluoroacetyl)piperidin-1-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[4-benzyl-3-(2,2,2-trifluoroacetyl)piperidin-1-yl]-1H-indole-6-carboxamide is O=C(NN1CCC(Cc2ccccc2)C(C(=O)C(F)(F)F)C1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[4-benzyl-3-(2,2,2-trifluoroacetyl)piperidin-1-yl]-1H-indole-6-carboxamide?
The InChIKey is UVSLRAUFIPREAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c24-23(25,26)21(30)19-14-29(11-9-17(19)12-15-4-2-1-3-5-15)28-22(31)18-7-6-16-8-10-27-20(16)13-18/h1-8,10,13,17,19,27H,9,11-12,14H2,(H,28,31).
What are the key properties of N-[4-benzyl-3-(2,2,2-trifluoroacetyl)piperidin-1-yl]-1H-indole-6-carboxamide?
N-[4-benzyl-3-(2,2,2-trifluoroacetyl)piperidin-1-yl]-1H-indole-6-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-benzyl-3-(2,2,2-trifluoroacetyl)piperidin-1-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 54374768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).