3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide

C19H21F3N4O — CID 154884095

IUPAC3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C19H21F3N4O/c1-25(17-16(19(20,21)22)10-5-11-23-17)15-9-6-12-26(13-15)18(27)24-14-7-3-2-4-8-14/h2-5,7-8,10-11,15H,6,9,12-13H2,1H3,(H,24,27)
InChIKeyOEUSREOALJWRLZ-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.23
Rot. Bonds3

About 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide

3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 154884095) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide
PubChem CID154884095
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C19H21F3N4O/c1-25(17-16(19(20,21)22)10-5-11-23-17)15-9-6-12-26(13-15)18(27)24-14-7-3-2-4-8-14/h2-5,7-8,10-11,15H,6,9,12-13H2,1H3,(H,24,27)
InChIKeyOEUSREOALJWRLZ-UHFFFAOYSA-N
XLogP4.23
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 154883988
1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one
CID 154883990
2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 154831210
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one
CID 154831265
N-phenyl-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]piperidine-3-carboxamide
CID 55719268
N-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879752
N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride
CID 146077841
3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 56823749
(3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 97120414
4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 134047330
methyl 4-[[3-[methyl(2-pyridin-2-ylethyl)amino]piperidine-1-carbonyl]amino]benzoate
CID 45234205
1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
CID 20782286

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide (CID 154884095) is 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide is CN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is OEUSREOALJWRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-25(17-16(19(20,21)22)10-5-11-23-17)15-9-6-12-26(13-15)18(27)24-14-7-3-2-4-8-14/h2-5,7-8,10-11,15H,6,9,12-13H2,1H3,(H,24,27).
What are the key properties of 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide?
3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 154884095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).