2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide

C16H27F3N2O2 — CID 119047742

IUPAC2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
SMILESCOC1(CC(=O)NCCC2CCN(CC(F)(F)F)CC2)CCC1
InChIInChI=1S/C16H27F3N2O2/c1-23-15(6-2-7-15)11-14(22)20-8-3-13-4-9-21(10-5-13)12-16(17,18)19/h13H,2-12H2,1H3,(H,20,22)
InChIKeyRWXOOKXRTODAGR-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.73
Rot. Bonds7

About 2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide

2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide (PubChem CID 119047742) has the molecular formula C16H27F3N2O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
PubChem CID119047742
Molecular FormulaC16H27F3N2O2
Molecular Weight336.40 g/mol
Exact Mass336.20
IUPAC Name2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
SMILESCOC1(CC(=O)NCCC2CCN(CC(F)(F)F)CC2)CCC1
InChIInChI=1S/C16H27F3N2O2/c1-23-15(6-2-7-15)11-14(22)20-8-3-13-4-9-21(10-5-13)12-16(17,18)19/h13H,2-12H2,1H3,(H,20,22)
InChIKeyRWXOOKXRTODAGR-UHFFFAOYSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide?
The IUPAC name of 2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide (CID 119047742) is 2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for 2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide is COC1(CC(=O)NCCC2CCN(CC(F)(F)F)CC2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide?
The InChIKey is RWXOOKXRTODAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O2/c1-23-15(6-2-7-15)11-14(22)20-8-3-13-4-9-21(10-5-13)12-16(17,18)19/h13H,2-12H2,1H3,(H,20,22).
What are the key properties of 2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide?
2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 119047742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).