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

C23H33F3N2O — CID 70696189

IUPACN-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(CCN2CCC(Cc3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C23H33F3N2O/c1-17(29)27-22-7-5-18(6-8-22)9-12-28-13-10-19(11-14-28)15-20-3-2-4-21(16-20)23(24,25)26/h2-4,16,18-19,22H,5-15H2,1H3,(H,27,29)
InChIKeyACKBCTLAXFJWPZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.04
Rot. Bonds6

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

N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]acetamide (PubChem CID 70696189) has the molecular formula C23H33F3N2O and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]acetamide
PubChem CID70696189
Molecular FormulaC23H33F3N2O
Molecular Weight410.52 g/mol
Exact Mass410.25
IUPAC NameN-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(CCN2CCC(Cc3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C23H33F3N2O/c1-17(29)27-22-7-5-18(6-8-22)9-12-28-13-10-19(11-14-28)15-20-3-2-4-21(16-20)23(24,25)26/h2-4,16,18-19,22H,5-15H2,1H3,(H,27,29)
InChIKeyACKBCTLAXFJWPZ-UHFFFAOYSA-N
XLogP5.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]acetamide (CID 70696189) is N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]acetamide is CC(=O)NC1CCC(CCN2CCC(Cc3cccc(C(F)(F)F)c3)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is ACKBCTLAXFJWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F3N2O/c1-17(29)27-22-7-5-18(6-8-22)9-12-28-13-10-19(11-14-28)15-20-3-2-4-21(16-20)23(24,25)26/h2-4,16,18-19,22H,5-15H2,1H3,(H,27,29).
What are the key properties of N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]acetamide?
N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 410.52 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 70696189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).