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

C25H34F2N2O2 — CID 57385672

IUPACN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)C1CC1(F)F
InChIInChI=1S/C25H34F2N2O2/c26-25(27)16-22(25)24(30)28-19-6-4-17(5-7-19)8-12-29-13-9-18(10-14-29)20-2-1-3-23-21(20)11-15-31-23/h1-3,17-19,22H,4-16H2,(H,28,30)
InChIKeyFDBMIKAQORBNLT-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.52
Rot. Bonds6

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

N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 57385672) has the molecular formula C25H34F2N2O2 and a molecular weight of 432.56 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID57385672
Molecular FormulaC25H34F2N2O2
Molecular Weight432.56 g/mol
Exact Mass432.26
IUPAC NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)C1CC1(F)F
InChIInChI=1S/C25H34F2N2O2/c26-25(27)16-22(25)24(30)28-19-6-4-17(5-7-19)8-12-29-13-9-18(10-14-29)20-2-1-3-23-21(20)11-15-31-23/h1-3,17-19,22H,4-16H2,(H,28,30)
InChIKeyFDBMIKAQORBNLT-UHFFFAOYSA-N
XLogP4.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 57387211
(2S)-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 67971945
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-1,3-benzodioxole-5-carboxamide
CID 57386457
1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanone
CID 161418323
2-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-1-(oxolan-3-yl)ethanone
CID 147297827
2-[[[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]amino]methyl]-3,3-dimethylbutanal
CID 123919846
4-(2,3-dihydro-1-benzofuran-4-yl)-1-[2-[4-[(4-fluorophenyl)sulfonylmethyl]cyclohexyl]ethyl]piperidine
CID 149456031
2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide
CID 66628022
2-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-1-(5-methylsulfonylthiophen-2-yl)ethanone
CID 159419610
2-benzyl-2-[1-carbamoyl-4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-1,3-dioxole-4-carboxylic acid
CID 67972406
[1-carbamoyl-4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl] pentanoate
CID 123928811
4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine
CID 123608868

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-difluorocyclopropane-1-carboxamide (CID 57385672) is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-difluorocyclopropane-1-carboxamide is O=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)C1CC1(F)F.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is FDBMIKAQORBNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F2N2O2/c26-25(27)16-22(25)24(30)28-19-6-4-17(5-7-19)8-12-29-13-9-18(10-14-29)20-2-1-3-23-21(20)11-15-31-23/h1-3,17-19,22H,4-16H2,(H,28,30).
What are the key properties of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-difluorocyclopropane-1-carboxamide?
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 432.56 g/mol, XLogP of 4.52, 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-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 57385672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).