1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C16H17F3N4O — CID 133326896

IUPAC1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)9-20-15(24)11-4-3-7-23(8-11)14-12-5-1-2-6-13(12)21-10-22-14/h1-2,5-6,10-11H,3-4,7-9H2,(H,20,24)
InChIKeyTXCAJTNQXMDMTG-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.52
Rot. Bonds3

About 1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 133326896) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID133326896
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)9-20-15(24)11-4-3-7-23(8-11)14-12-5-1-2-6-13(12)21-10-22-14/h1-2,5-6,10-11H,3-4,7-9H2,(H,20,24)
InChIKeyTXCAJTNQXMDMTG-UHFFFAOYSA-N
XLogP2.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 110436254
N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 49431629
1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326963
N-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 110436261
(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 94184844
1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133402580
(3R)-N-(cyclopropylmethyl)-1-(5-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 96566820
4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238
N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 47807499
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559
N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 133278233
N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 166600895

Frequently Asked Questions

What is the IUPAC name of 1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 133326896) is 1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)C1CCCN(c2ncnc3ccccc23)C1.
What is the InChIKey of 1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is TXCAJTNQXMDMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c17-16(18,19)9-20-15(24)11-4-3-7-23(8-11)14-12-5-1-2-6-13(12)21-10-22-14/h1-2,5-6,10-11H,3-4,7-9H2,(H,20,24).
What are the key properties of 1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 133326896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).