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

C24H33N3O2 — CID 57385423

IUPAC2-cyano-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
SMILESN#CCC(=O)NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1
InChIInChI=1S/C24H33N3O2/c25-13-8-24(28)26-20-6-4-18(5-7-20)9-14-27-15-10-19(11-16-27)21-2-1-3-23-22(21)12-17-29-23/h1-3,18-20H,4-12,14-17H2,(H,26,28)
InChIKeyFJKZYFQWHOCWIZ-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.78
Rot. Bonds6

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

2-cyano-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide (PubChem CID 57385423) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-cyano-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
PubChem CID57385423
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-cyano-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
SMILESN#CCC(=O)NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1
InChIInChI=1S/C24H33N3O2/c25-13-8-24(28)26-20-6-4-18(5-7-20)9-14-27-15-10-19(11-16-27)21-2-1-3-23-22(21)12-17-29-23/h1-3,18-20H,4-12,14-17H2,(H,26,28)
InChIKeyFJKZYFQWHOCWIZ-UHFFFAOYSA-N
XLogP3.78
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-cyano-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide (CID 57385423) is 2-cyano-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide is N#CCC(=O)NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1.
What is the InChIKey of 2-cyano-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is FJKZYFQWHOCWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c25-13-8-24(28)26-20-6-4-18(5-7-20)9-14-27-15-10-19(11-16-27)21-2-1-3-23-22(21)12-17-29-23/h1-3,18-20H,4-12,14-17H2,(H,26,28).
What are the key properties of 2-cyano-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
2-cyano-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 395.55 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 57385423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).