3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide

C16H20F3N3O2 — CID 56823749

IUPAC3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)C1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H20F3N3O2/c1-21(2)14(23)11-4-3-9-22(10-11)15(24)20-13-7-5-12(6-8-13)16(17,18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,24)
InChIKeyKSZJFDOOCORKJI-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.04
Rot. Bonds2

About 3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide

3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide (PubChem CID 56823749) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
PubChem CID56823749
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)C1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H20F3N3O2/c1-21(2)14(23)11-4-3-9-22(10-11)15(24)20-13-7-5-12(6-8-13)16(17,18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,24)
InChIKeyKSZJFDOOCORKJI-UHFFFAOYSA-N
XLogP3.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 51944575
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126
3-pyridin-4-yloxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 122255985
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 58866968
3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 71809353
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464
4-[(1-methylpiperidin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 11581776
N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
CID 45206398
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 122258090
2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119202408
(3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide
CID 95572739

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide (CID 56823749) is 3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide is CN(C)C(=O)C1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is KSZJFDOOCORKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-21(2)14(23)11-4-3-9-22(10-11)15(24)20-13-7-5-12(6-8-13)16(17,18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,24).
What are the key properties of 3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide?
3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 343.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 56823749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).