1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide

C14H16F3N3O2 — CID 5297464

IUPAC1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)C1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)10-4-1-5-11(7-10)19-13(22)20-6-2-3-9(8-20)12(18)21/h1,4-5,7,9H,2-3,6,8H2,(H2,18,21)(H,19,22)
InChIKeyVKAJDJJCHLCGPG-UHFFFAOYSA-N
MW315.29 g/mol
LogP2.43
Rot. Bonds2

About 1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide

1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide (PubChem CID 5297464) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
PubChem CID5297464
Molecular FormulaC14H16F3N3O2
Molecular Weight315.29 g/mol
Exact Mass315.12
IUPAC Name1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)C1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)10-4-1-5-11(7-10)19-13(22)20-6-2-3-9(8-20)12(18)21/h1,4-5,7,9H,2-3,6,8H2,(H2,18,21)(H,19,22)
InChIKeyVKAJDJJCHLCGPG-UHFFFAOYSA-N
XLogP2.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
1-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122090866
(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94857474
(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
ethyl 1-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]piperidine-3-carboxylate
CID 71086529
3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 72862706

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide (CID 5297464) is 1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide is NC(=O)C1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is VKAJDJJCHLCGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c15-14(16,17)10-4-1-5-11(7-10)19-13(22)20-6-2-3-9(8-20)12(18)21/h1,4-5,7,9H,2-3,6,8H2,(H2,18,21)(H,19,22).
What are the key properties of 1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide?
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 315.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 5297464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).