N-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C19H22F3N3OS — CID 55974457

IUPACN-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)C1CCCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C19H22F3N3OS/c1-13(10-14-6-9-27-12-14)24-18(26)15-4-3-8-25(11-15)17-16(19(20,21)22)5-2-7-23-17/h2,5-7,9,12-13,15H,3-4,8,10-11H2,1H3,(H,24,26)
InChIKeyUAUIFIUZRQQASI-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.13
Rot. Bonds5

About N-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

N-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55974457) has the molecular formula C19H22F3N3OS and a molecular weight of 397.47 g/mol. Its IUPAC name is N-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55974457
Molecular FormulaC19H22F3N3OS
Molecular Weight397.47 g/mol
Exact Mass397.14
IUPAC NameN-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)C1CCCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C19H22F3N3OS/c1-13(10-14-6-9-27-12-14)24-18(26)15-4-3-8-25(11-15)17-16(19(20,21)22)5-2-7-23-17/h2,5-7,9,12-13,15H,3-4,8,10-11H2,1H3,(H,24,26)
InChIKeyUAUIFIUZRQQASI-UHFFFAOYSA-N
XLogP4.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55718313
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
methyl 2-[[(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 51955858
N'-[2-(2-ethoxyphenoxy)acetyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55712443
(3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 95343584
N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55758731
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55712374
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55718620
(3S)-N-[(1R,2R)-2-methoxycyclohexyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 100700324
N-[(1R,2R)-2-methoxycyclohexyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 119036191
N-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55910572
N-[2-(N-methylanilino)ethyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55713142

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 55974457) is N-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is CC(Cc1ccsc1)NC(=O)C1CCCN(c2ncccc2C(F)(F)F)C1.
What is the InChIKey of N-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is UAUIFIUZRQQASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3OS/c1-13(10-14-6-9-27-12-14)24-18(26)15-4-3-8-25(11-15)17-16(19(20,21)22)5-2-7-23-17/h2,5-7,9,12-13,15H,3-4,8,10-11H2,1H3,(H,24,26).
What are the key properties of N-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
N-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 397.47 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55974457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).