N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide

C19H18F3N3O2 — CID 47796880

IUPACN-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cccnc1
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)16-6-2-1-5-15(16)18(27)25-10-7-14(8-11-25)24-17(26)13-4-3-9-23-12-13/h1-6,9,12,14H,7-8,10-11H2,(H,24,26)
InChIKeyAUMONNOCUGXAHP-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.13
Rot. Bonds3

About N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide

N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 47796880) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID47796880
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cccnc1
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)16-6-2-1-5-15(16)18(27)25-10-7-14(8-11-25)24-17(26)13-4-3-9-23-12-13/h1-6,9,12,14H,7-8,10-11H2,(H,24,26)
InChIKeyAUMONNOCUGXAHP-UHFFFAOYSA-N
XLogP3.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924696
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182
3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108555379
2-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549236
N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555137
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555134
phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 110821885
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796919
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 38215685
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 175650470
3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide
CID 108556215
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide (CID 47796880) is N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cccnc1.
What is the InChIKey of N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is AUMONNOCUGXAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c20-19(21,22)16-6-2-1-5-15(16)18(27)25-10-7-14(8-11-25)24-17(26)13-4-3-9-23-12-13/h1-6,9,12,14H,7-8,10-11H2,(H,24,26).
What are the key properties of N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 47796880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).