1-(4-benzylpiperidin-1-yl)-3-(2,2,2-trifluoroacetyl)indole-5-carboxamide

C23H22F3N3O2 — CID 18504950

IUPAC1-(4-benzylpiperidin-1-yl)-3-(2,2,2-trifluoroacetyl)indole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)c(C(=O)C(F)(F)F)cn2N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)21(30)19-14-29(20-7-6-17(22(27)31)13-18(19)20)28-10-8-16(9-11-28)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2,(H2,27,31)
InChIKeyYDLBAXIGWKDFAN-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.08
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-3-(2,2,2-trifluoroacetyl)indole-5-carboxamide

1-(4-benzylpiperidin-1-yl)-3-(2,2,2-trifluoroacetyl)indole-5-carboxamide (PubChem CID 18504950) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-(2,2,2-trifluoroacetyl)indole-5-carboxamide.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-(2,2,2-trifluoroacetyl)indole-5-carboxamide
PubChem CID18504950
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-(2,2,2-trifluoroacetyl)indole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)c(C(=O)C(F)(F)F)cn2N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)21(30)19-14-29(20-7-6-17(22(27)31)13-18(19)20)28-10-8-16(9-11-28)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2,(H2,27,31)
InChIKeyYDLBAXIGWKDFAN-UHFFFAOYSA-N
XLogP4.08
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(2,2,2-trifluoroacetyl)indole-5-carboxamide?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(2,2,2-trifluoroacetyl)indole-5-carboxamide (CID 18504950) is 1-(4-benzylpiperidin-1-yl)-3-(2,2,2-trifluoroacetyl)indole-5-carboxamide.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-(2,2,2-trifluoroacetyl)indole-5-carboxamide?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-(2,2,2-trifluoroacetyl)indole-5-carboxamide is NC(=O)c1ccc2c(c1)c(C(=O)C(F)(F)F)cn2N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-(2,2,2-trifluoroacetyl)indole-5-carboxamide?
The InChIKey is YDLBAXIGWKDFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c24-23(25,26)21(30)19-14-29(20-7-6-17(22(27)31)13-18(19)20)28-10-8-16(9-11-28)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2,(H2,27,31).
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-(2,2,2-trifluoroacetyl)indole-5-carboxamide?
1-(4-benzylpiperidin-1-yl)-3-(2,2,2-trifluoroacetyl)indole-5-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-3-(2,2,2-trifluoroacetyl)indole-5-carboxamide is sourced from PubChem (CID 18504950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).