N-(oxan-4-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C20H25F3N2O3 — CID 24819450

IUPACN-(oxan-4-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCC1CCOCC1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H25F3N2O3/c21-20(22,23)17-3-1-2-15(10-17)12-25-13-16(4-5-18(25)26)19(27)24-11-14-6-8-28-9-7-14/h1-3,10,14,16H,4-9,11-13H2,(H,24,27)
InChIKeyPYMAXMYHUJWNIH-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.99
Rot. Bonds5

About N-(oxan-4-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

N-(oxan-4-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24819450) has the molecular formula C20H25F3N2O3 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24819450
Molecular FormulaC20H25F3N2O3
Molecular Weight398.43 g/mol
Exact Mass398.18
IUPAC NameN-(oxan-4-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCC1CCOCC1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H25F3N2O3/c21-20(22,23)17-3-1-2-15(10-17)12-25-13-16(4-5-18(25)26)19(27)24-11-14-6-8-28-9-7-14/h1-3,10,14,16H,4-9,11-13H2,(H,24,27)
InChIKeyPYMAXMYHUJWNIH-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24819450) is N-(oxan-4-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCC1CCOCC1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-(oxan-4-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is PYMAXMYHUJWNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O3/c21-20(22,23)17-3-1-2-15(10-17)12-25-13-16(4-5-18(25)26)19(27)24-11-14-6-8-28-9-7-14/h1-3,10,14,16H,4-9,11-13H2,(H,24,27).
What are the key properties of N-(oxan-4-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
N-(oxan-4-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24819450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).