N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide

C23H31FN2O2 — CID 57385675

IUPACN-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(CCN2CCC(c3ccc(F)c4occc34)CC2)CC1
InChIInChI=1S/C23H31FN2O2/c1-16(27)25-19-4-2-17(3-5-19)8-12-26-13-9-18(10-14-26)20-6-7-22(24)23-21(20)11-15-28-23/h6-7,11,15,17-19H,2-5,8-10,12-14H2,1H3,(H,25,27)
InChIKeySUATVGXCTNKNQW-UHFFFAOYSA-N
MW386.51 g/mol
LogP4.84
Rot. Bonds5

About N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide

N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide (PubChem CID 57385675) has the molecular formula C23H31FN2O2 and a molecular weight of 386.51 g/mol. Its IUPAC name is N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
PubChem CID57385675
Molecular FormulaC23H31FN2O2
Molecular Weight386.51 g/mol
Exact Mass386.24
IUPAC NameN-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(CCN2CCC(c3ccc(F)c4occc34)CC2)CC1
InChIInChI=1S/C23H31FN2O2/c1-16(27)25-19-4-2-17(3-5-19)8-12-26-13-9-18(10-14-26)20-6-7-22(24)23-21(20)11-15-28-23/h6-7,11,15,17-19H,2-5,8-10,12-14H2,1H3,(H,25,27)
InChIKeySUATVGXCTNKNQW-UHFFFAOYSA-N
XLogP4.84
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 54.84
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-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide (CID 57385675) is N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide is CC(=O)NC1CCC(CCN2CCC(c3ccc(F)c4occc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is SUATVGXCTNKNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O2/c1-16(27)25-19-4-2-17(3-5-19)8-12-26-13-9-18(10-14-26)20-6-7-22(24)23-21(20)11-15-28-23/h6-7,11,15,17-19H,2-5,8-10,12-14H2,1H3,(H,25,27).
What are the key properties of N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 386.51 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 57385675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).