N-[[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]acetamide

C18H21FN2O3 — CID 24793802

IUPACN-[[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(C(=O)c2oc3c(F)cccc3c2C)C1
InChIInChI=1S/C18H21FN2O3/c1-11-14-6-3-7-15(19)17(14)24-16(11)18(23)21-8-4-5-13(10-21)9-20-12(2)22/h3,6-7,13H,4-5,8-10H2,1-2H3,(H,20,22)
InChIKeyDCEKBRGSRWEVAY-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.87
Rot. Bonds3

About N-[[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]acetamide

N-[[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]acetamide (PubChem CID 24793802) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]acetamide
PubChem CID24793802
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC NameN-[[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(C(=O)c2oc3c(F)cccc3c2C)C1
InChIInChI=1S/C18H21FN2O3/c1-11-14-6-3-7-15(19)17(14)24-16(11)18(23)21-8-4-5-13(10-21)9-20-12(2)22/h3,6-7,13H,4-5,8-10H2,1-2H3,(H,20,22)
InChIKeyDCEKBRGSRWEVAY-UHFFFAOYSA-N
XLogP2.87
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]acetamide (CID 24793802) is N-[[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(C(=O)c2oc3c(F)cccc3c2C)C1.
What is the InChIKey of N-[[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]acetamide?
The InChIKey is DCEKBRGSRWEVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-11-14-6-3-7-15(19)17(14)24-16(11)18(23)21-8-4-5-13(10-21)9-20-12(2)22/h3,6-7,13H,4-5,8-10H2,1-2H3,(H,20,22).
What are the key properties of N-[[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]acetamide?
N-[[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]acetamide has a molecular weight of 332.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 24793802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).