1-(1H-indazol-5-ylsulfonyl)-N-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C24H27F3N4O3S — CID 71771058

IUPAC1-(1H-indazol-5-ylsulfonyl)-N-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C24H27F3N4O3S/c1-2-11-30(16-18-5-3-4-6-21(18)24(25,26)27)23(32)17-9-12-31(13-10-17)35(33,34)20-7-8-22-19(14-20)15-28-29-22/h3-8,14-15,17H,2,9-13,16H2,1H3,(H,28,29)
InChIKeyCSWVLLGTLUKTQN-UHFFFAOYSA-N
MW508.57 g/mol
LogP4.42
Rot. Bonds7

About 1-(1H-indazol-5-ylsulfonyl)-N-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

1-(1H-indazol-5-ylsulfonyl)-N-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 71771058) has the molecular formula C24H27F3N4O3S and a molecular weight of 508.57 g/mol. Its IUPAC name is 1-(1H-indazol-5-ylsulfonyl)-N-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1H-indazol-5-ylsulfonyl)-N-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID71771058
Molecular FormulaC24H27F3N4O3S
Molecular Weight508.57 g/mol
Exact Mass508.18
IUPAC Name1-(1H-indazol-5-ylsulfonyl)-N-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C24H27F3N4O3S/c1-2-11-30(16-18-5-3-4-6-21(18)24(25,26)27)23(32)17-9-12-31(13-10-17)35(33,34)20-7-8-22-19(14-20)15-28-29-22/h3-8,14-15,17H,2,9-13,16H2,1H3,(H,28,29)
InChIKeyCSWVLLGTLUKTQN-UHFFFAOYSA-N
XLogP4.42
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.57
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ML380
CID 71737672
N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]piperidine-4-carboxamide
CID 24771120
N-(1H-indazol-6-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 2346076
N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 71737617
N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 71737618
N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71737648
N-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide
CID 71737675
N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 71737677
N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 71737681
N-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide
CID 71737709
N-butan-2-yl-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 118712535
N-(2,2-dimethylpropyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 118712536

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-5-ylsulfonyl)-N-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1H-indazol-5-ylsulfonyl)-N-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 71771058) is 1-(1H-indazol-5-ylsulfonyl)-N-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1H-indazol-5-ylsulfonyl)-N-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1H-indazol-5-ylsulfonyl)-N-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is CCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1.
What is the InChIKey of 1-(1H-indazol-5-ylsulfonyl)-N-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is CSWVLLGTLUKTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3S/c1-2-11-30(16-18-5-3-4-6-21(18)24(25,26)27)23(32)17-9-12-31(13-10-17)35(33,34)20-7-8-22-19(14-20)15-28-29-22/h3-8,14-15,17H,2,9-13,16H2,1H3,(H,28,29).
What are the key properties of 1-(1H-indazol-5-ylsulfonyl)-N-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
1-(1H-indazol-5-ylsulfonyl)-N-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 508.57 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-5-ylsulfonyl)-N-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71771058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).