N-(2-methylpropyl)-3-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)propanamide

C14H25F3N2O2 — CID 63877176

IUPACN-(2-methylpropyl)-3-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CCOC1CCNCC1
InChIInChI=1S/C14H25F3N2O2/c1-11(2)9-19(10-14(15,16)17)13(20)5-8-21-12-3-6-18-7-4-12/h11-12,18H,3-10H2,1-2H3
InChIKeyHRKQWROLWHBIGF-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.19
Rot. Bonds7

About N-(2-methylpropyl)-3-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)propanamide

N-(2-methylpropyl)-3-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 63877176) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID63877176
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC NameN-(2-methylpropyl)-3-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CCOC1CCNCC1
InChIInChI=1S/C14H25F3N2O2/c1-11(2)9-19(10-14(15,16)17)13(20)5-8-21-12-3-6-18-7-4-12/h11-12,18H,3-10H2,1-2H3
InChIKeyHRKQWROLWHBIGF-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-methylpropyl)-3-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)propanamide (CID 63877176) is N-(2-methylpropyl)-3-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)propanamide is CC(C)CN(CC(F)(F)F)C(=O)CCOC1CCNCC1.
What is the InChIKey of N-(2-methylpropyl)-3-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HRKQWROLWHBIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-11(2)9-19(10-14(15,16)17)13(20)5-8-21-12-3-6-18-7-4-12/h11-12,18H,3-10H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-3-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-methylpropyl)-3-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 310.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 63877176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).