2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide

C16H21N3O2 — CID 43433116

IUPAC2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCc2cc3ccccc3o2)CC1
InChIInChI=1S/C16H21N3O2/c17-16(20)11-19-7-5-13(6-8-19)18-10-14-9-12-3-1-2-4-15(12)21-14/h1-4,9,13,18H,5-8,10-11H2,(H2,17,20)
InChIKeyKVKHHQYVVKEIAD-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.47
Rot. Bonds5

About 2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide

2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide (PubChem CID 43433116) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide
PubChem CID43433116
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCc2cc3ccccc3o2)CC1
InChIInChI=1S/C16H21N3O2/c17-16(20)11-19-7-5-13(6-8-19)18-10-14-9-12-3-1-2-4-15(12)21-14/h1-4,9,13,18H,5-8,10-11H2,(H2,17,20)
InChIKeyKVKHHQYVVKEIAD-UHFFFAOYSA-N
XLogP1.47
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide (CID 43433116) is 2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide is NC(=O)CN1CCC(NCc2cc3ccccc3o2)CC1.
What is the InChIKey of 2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide?
The InChIKey is KVKHHQYVVKEIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-16(20)11-19-7-5-13(6-8-19)18-10-14-9-12-3-1-2-4-15(12)21-14/h1-4,9,13,18H,5-8,10-11H2,(H2,17,20).
What are the key properties of 2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide?
2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 43433116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).