N-[4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexyl]acetamide

C22H31F3N2O2 — CID 70689874

IUPACN-[4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(CCN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C22H31F3N2O2/c1-16(28)26-19-7-5-17(6-8-19)9-12-27-13-10-20(11-14-27)29-21-4-2-3-18(15-21)22(23,24)25/h2-4,15,17,19-20H,5-14H2,1H3,(H,26,28)
InChIKeyKXXWXEBOCLSFEB-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.63
Rot. Bonds6

About N-[4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexyl]acetamide

N-[4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexyl]acetamide (PubChem CID 70689874) has the molecular formula C22H31F3N2O2 and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexyl]acetamide
PubChem CID70689874
Molecular FormulaC22H31F3N2O2
Molecular Weight412.50 g/mol
Exact Mass412.23
IUPAC NameN-[4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(CCN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C22H31F3N2O2/c1-16(28)26-19-7-5-17(6-8-19)9-12-27-13-10-20(11-14-27)29-21-4-2-3-18(15-21)22(23,24)25/h2-4,15,17,19-20H,5-14H2,1H3,(H,26,28)
InChIKeyKXXWXEBOCLSFEB-UHFFFAOYSA-N
XLogP4.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexyl]acetamide (CID 70689874) is N-[4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexyl]acetamide is CC(=O)NC1CCC(CCN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is KXXWXEBOCLSFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3N2O2/c1-16(28)26-19-7-5-17(6-8-19)9-12-27-13-10-20(11-14-27)29-21-4-2-3-18(15-21)22(23,24)25/h2-4,15,17,19-20H,5-14H2,1H3,(H,26,28).
What are the key properties of N-[4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexyl]acetamide?
N-[4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 412.50 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 70689874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).