N-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-dihydro-2-benzofuran-5-yl]acetamide

C22H25FN2O2 — CID 23504834

IUPACN-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-dihydro-2-benzofuran-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(CN1CCC(c3ccc(F)cc3)CC1)OC2
InChIInChI=1S/C22H25FN2O2/c1-15(26)24-20-7-4-18-14-27-22(21(18)12-20)13-25-10-8-17(9-11-25)16-2-5-19(23)6-3-16/h2-7,12,17,22H,8-11,13-14H2,1H3,(H,24,26)
InChIKeyFWZUNIPLLNFVAA-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.24
Rot. Bonds4

About N-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-dihydro-2-benzofuran-5-yl]acetamide

N-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-dihydro-2-benzofuran-5-yl]acetamide (PubChem CID 23504834) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-dihydro-2-benzofuran-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-dihydro-2-benzofuran-5-yl]acetamide
PubChem CID23504834
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-dihydro-2-benzofuran-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(CN1CCC(c3ccc(F)cc3)CC1)OC2
InChIInChI=1S/C22H25FN2O2/c1-15(26)24-20-7-4-18-14-27-22(21(18)12-20)13-25-10-8-17(9-11-25)16-2-5-19(23)6-3-16/h2-7,12,17,22H,8-11,13-14H2,1H3,(H,24,26)
InChIKeyFWZUNIPLLNFVAA-UHFFFAOYSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-dihydro-2-benzofuran-5-yl]acetamide?
The IUPAC name of N-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-dihydro-2-benzofuran-5-yl]acetamide (CID 23504834) is N-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-dihydro-2-benzofuran-5-yl]acetamide.
What is the SMILES notation for N-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-dihydro-2-benzofuran-5-yl]acetamide?
The canonical SMILES for N-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-dihydro-2-benzofuran-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)C(CN1CCC(c3ccc(F)cc3)CC1)OC2.
What is the InChIKey of N-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-dihydro-2-benzofuran-5-yl]acetamide?
The InChIKey is FWZUNIPLLNFVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-15(26)24-20-7-4-18-14-27-22(21(18)12-20)13-25-10-8-17(9-11-25)16-2-5-19(23)6-3-16/h2-7,12,17,22H,8-11,13-14H2,1H3,(H,24,26).
What are the key properties of N-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-dihydro-2-benzofuran-5-yl]acetamide?
N-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-dihydro-2-benzofuran-5-yl]acetamide has a molecular weight of 368.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-dihydro-2-benzofuran-5-yl]acetamide is sourced from PubChem (CID 23504834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).