N-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide

C15H18F3N3OS — CID 134118268

IUPACN-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=S)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H18F3N3OS/c1-10(22)19-13-6-3-7-21(9-13)14(23)20-12-5-2-4-11(8-12)15(16,17)18/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,19,22)(H,20,23)
InChIKeyMMGZPCUQZWSZGA-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.00
Rot. Bonds2

About N-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide

N-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide (PubChem CID 134118268) has the molecular formula C15H18F3N3OS and a molecular weight of 345.39 g/mol. Its IUPAC name is N-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide
PubChem CID134118268
Molecular FormulaC15H18F3N3OS
Molecular Weight345.39 g/mol
Exact Mass345.11
IUPAC NameN-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=S)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H18F3N3OS/c1-10(22)19-13-6-3-7-21(9-13)14(23)20-12-5-2-4-11(8-12)15(16,17)18/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,19,22)(H,20,23)
InChIKeyMMGZPCUQZWSZGA-UHFFFAOYSA-N
XLogP3.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 72862706
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
CID 19654078
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464
(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94857474
tert-butyl 3-[3-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 51064077
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide
CID 108952355
2-chloro-1-[(3S)-3-[3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 146567789
4-[(2R)-oxolane-2-carbonyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
CID 1312416
(Z)-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]but-2-enamide
CID 1475994
2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide (CID 134118268) is N-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=S)Nc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide?
The InChIKey is MMGZPCUQZWSZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3OS/c1-10(22)19-13-6-3-7-21(9-13)14(23)20-12-5-2-4-11(8-12)15(16,17)18/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide?
N-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide has a molecular weight of 345.39 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 134118268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).