2,2,2-trifluoro-N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-N-(quinolin-4-ylmethyl)acetamide

C26H23F3N4O2 — CID 151152598

IUPAC2,2,2-trifluoro-N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-N-(quinolin-4-ylmethyl)acetamide
SMILESO=C(c1c[nH]c2ccccc12)N1CCC(N(Cc2ccnc3ccccc23)C(=O)C(F)(F)F)CC1
InChIInChI=1S/C26H23F3N4O2/c27-26(28,29)25(35)33(16-17-9-12-30-22-7-3-1-5-19(17)22)18-10-13-32(14-11-18)24(34)21-15-31-23-8-4-2-6-20(21)23/h1-9,12,15,18,31H,10-11,13-14,16H2
InChIKeyMYNNTVNWNKTWJY-UHFFFAOYSA-N
MW480.49 g/mol
LogP4.91
Rot. Bonds4

About 2,2,2-trifluoro-N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-N-(quinolin-4-ylmethyl)acetamide

2,2,2-trifluoro-N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-N-(quinolin-4-ylmethyl)acetamide (PubChem CID 151152598) has the molecular formula C26H23F3N4O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-N-(quinolin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-N-(quinolin-4-ylmethyl)acetamide
PubChem CID151152598
Molecular FormulaC26H23F3N4O2
Molecular Weight480.49 g/mol
Exact Mass480.18
IUPAC Name2,2,2-trifluoro-N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-N-(quinolin-4-ylmethyl)acetamide
SMILESO=C(c1c[nH]c2ccccc12)N1CCC(N(Cc2ccnc3ccccc23)C(=O)C(F)(F)F)CC1
InChIInChI=1S/C26H23F3N4O2/c27-26(28,29)25(35)33(16-17-9-12-30-22-7-3-1-5-19(17)22)18-10-13-32(14-11-18)24(34)21-15-31-23-8-4-2-6-20(21)23/h1-9,12,15,18,31H,10-11,13-14,16H2
InChIKeyMYNNTVNWNKTWJY-UHFFFAOYSA-N
XLogP4.91
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-N-(quinolin-4-ylmethyl)acetamide with MolForge

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Related Compounds

N-[2-benzyl-1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-2,2,2-trifluoro-N-(quinolin-4-ylmethyl)acetamide
CID 54259584
1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 137456369
N-[(2R,4S)-2-benzyl-1-[(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]piperidin-4-yl]-2,2,2-trifluoro-N-(quinolin-4-ylmethyl)acetamide
CID 57245952
N-[(2R,4S)-2-benzyl-1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2,2,2-trifluoro-N-(quinolin-4-ylmethyl)acetamide
CID 56976894
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
N-[1-[(2R)-2-amino-3-phenylpropanoyl]-2-benzylpiperidin-4-yl]-2,2,2-trifluoro-N-(quinolin-4-ylmethyl)acetamide
CID 54152930
1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126855908
1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 97329098
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
pyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090995
1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
CID 53185539

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-N-(quinolin-4-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-N-(quinolin-4-ylmethyl)acetamide (CID 151152598) is 2,2,2-trifluoro-N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-N-(quinolin-4-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-N-(quinolin-4-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-N-(quinolin-4-ylmethyl)acetamide is O=C(c1c[nH]c2ccccc12)N1CCC(N(Cc2ccnc3ccccc23)C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-N-(quinolin-4-ylmethyl)acetamide?
The InChIKey is MYNNTVNWNKTWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c27-26(28,29)25(35)33(16-17-9-12-30-22-7-3-1-5-19(17)22)18-10-13-32(14-11-18)24(34)21-15-31-23-8-4-2-6-20(21)23/h1-9,12,15,18,31H,10-11,13-14,16H2.
What are the key properties of 2,2,2-trifluoro-N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-N-(quinolin-4-ylmethyl)acetamide?
2,2,2-trifluoro-N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-N-(quinolin-4-ylmethyl)acetamide has a molecular weight of 480.49 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-N-(quinolin-4-ylmethyl)acetamide is sourced from PubChem (CID 151152598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).