N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide

C24H31F3N2O2 — CID 70674942

IUPACN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C24H31F3N2O2/c25-24(26,27)15-23(30)28-19-7-5-17(6-8-19)9-12-29-13-10-18(11-14-29)21-16-31-22-4-2-1-3-20(21)22/h1-4,16-19H,5-15H2,(H,28,30)
InChIKeyYBIAFKASHSKZAI-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.63
Rot. Bonds6

About N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide

N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide (PubChem CID 70674942) has the molecular formula C24H31F3N2O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide
PubChem CID70674942
Molecular FormulaC24H31F3N2O2
Molecular Weight436.52 g/mol
Exact Mass436.23
IUPAC NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C24H31F3N2O2/c25-24(26,27)15-23(30)28-19-7-5-17(6-8-19)9-12-29-13-10-18(11-14-29)21-16-31-22-4-2-1-3-20(21)22/h1-4,16-19H,5-15H2,(H,28,30)
InChIKeyYBIAFKASHSKZAI-UHFFFAOYSA-N
XLogP5.63
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide with MolForge

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Related Compounds

N-[2-(2-Benzyl-benzofuran-3-yl)-ethyl]-acetamide
CID 11098363
[(1R)-2-(1-benzofuran-3-yl)-1-[(2-phenylacetyl)amino]ethyl]boronic acid
CID 140861710
[(1R)-2-(7-fluoro-1-benzofuran-3-yl)-1-[(2-phenylacetyl)amino]ethyl]boronic acid
CID 140861774
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide
CID 70675174
(E)-N-[4-[[4-(1-benzofuran-3-yl)piperidin-1-yl]methyl]cyclohexyl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 44534462
4-(1-Benzofuran-3-yl)-1-(3-piperidin-1-ylpropyl)piperidine;dihydrochloride
CID 45263452
4-(1-Benzofuran-3-yl)-1-propylpiperidine
CID 71452519
N-[2-(5-propyl-1-benzofuran-3-yl)ethyl]acetamide
CID 21460931
N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide
CID 57379033
trans-N-(4-{2-[4-(7-Fluoro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-acetamide
CID 57385675
Tetrahydro-pyran-4-carboxylic acid trans-(4-{2-[4-(7-fluoro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-amide
CID 57385676
trans-N-(4-{2-[4-(7-Fluoro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-2-(tetrahydro-pyran-4-yl)-acetamide
CID 57385677

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide (CID 70674942) is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide?
The InChIKey is YBIAFKASHSKZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N2O2/c25-24(26,27)15-23(30)28-19-7-5-17(6-8-19)9-12-29-13-10-18(11-14-29)21-16-31-22-4-2-1-3-20(21)22/h1-4,16-19H,5-15H2,(H,28,30).
What are the key properties of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide?
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide has a molecular weight of 436.52 g/mol, XLogP of 5.63, 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-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 70674942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).