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

C23H25FN2O2 — CID 46965793

IUPACN-[4-(2-fluorophenyl)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2F)CCN(Cc2c(C)oc3ccccc23)CC1
InChIInChI=1S/C23H25FN2O2/c1-16-19(18-7-3-6-10-22(18)28-16)15-26-13-11-23(12-14-26,25-17(2)27)20-8-4-5-9-21(20)24/h3-10H,11-15H2,1-2H3,(H,25,27)
InChIKeyNKAIMILGTOPRMA-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.51
Rot. Bonds4

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

N-[4-(2-fluorophenyl)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 46965793) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[4-(2-fluorophenyl)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenyl)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-4-yl]acetamide
PubChem CID46965793
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC NameN-[4-(2-fluorophenyl)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2F)CCN(Cc2c(C)oc3ccccc23)CC1
InChIInChI=1S/C23H25FN2O2/c1-16-19(18-7-3-6-10-22(18)28-16)15-26-13-11-23(12-14-26,25-17(2)27)20-8-4-5-9-21(20)24/h3-10H,11-15H2,1-2H3,(H,25,27)
InChIKeyNKAIMILGTOPRMA-UHFFFAOYSA-N
XLogP4.51
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenyl)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[4-(2-fluorophenyl)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-4-yl]acetamide (CID 46965793) is N-[4-(2-fluorophenyl)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-(2-fluorophenyl)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-(2-fluorophenyl)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-4-yl]acetamide is CC(=O)NC1(c2ccccc2F)CCN(Cc2c(C)oc3ccccc23)CC1.
What is the InChIKey of N-[4-(2-fluorophenyl)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is NKAIMILGTOPRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-16-19(18-7-3-6-10-22(18)28-16)15-26-13-11-23(12-14-26,25-17(2)27)20-8-4-5-9-21(20)24/h3-10H,11-15H2,1-2H3,(H,25,27).
What are the key properties of N-[4-(2-fluorophenyl)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-4-yl]acetamide?
N-[4-(2-fluorophenyl)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 380.46 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenyl)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 46965793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).