N-[5-(1-cyclopropylpiperidin-4-yl)oxy-1-benzofuran-2-yl]formamide

C17H20N2O3 — CID 141101818

IUPACN-[5-(1-cyclopropylpiperidin-4-yl)oxy-1-benzofuran-2-yl]formamide
SMILESO=CNc1cc2cc(OC3CCN(C4CC4)CC3)ccc2o1
InChIInChI=1S/C17H20N2O3/c20-11-18-17-10-12-9-15(3-4-16(12)22-17)21-14-5-7-19(8-6-14)13-1-2-13/h3-4,9-11,13-14H,1-2,5-8H2,(H,18,20)
InChIKeyBMLKTYDFQKBNGW-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.01
Rot. Bonds5

About N-[5-(1-cyclopropylpiperidin-4-yl)oxy-1-benzofuran-2-yl]formamide

N-[5-(1-cyclopropylpiperidin-4-yl)oxy-1-benzofuran-2-yl]formamide (PubChem CID 141101818) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[5-(1-cyclopropylpiperidin-4-yl)oxy-1-benzofuran-2-yl]formamide.

Molecular Properties

Compound NameN-[5-(1-cyclopropylpiperidin-4-yl)oxy-1-benzofuran-2-yl]formamide
PubChem CID141101818
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[5-(1-cyclopropylpiperidin-4-yl)oxy-1-benzofuran-2-yl]formamide
SMILESO=CNc1cc2cc(OC3CCN(C4CC4)CC3)ccc2o1
InChIInChI=1S/C17H20N2O3/c20-11-18-17-10-12-9-15(3-4-16(12)22-17)21-14-5-7-19(8-6-14)13-1-2-13/h3-4,9-11,13-14H,1-2,5-8H2,(H,18,20)
InChIKeyBMLKTYDFQKBNGW-UHFFFAOYSA-N
XLogP3.01
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-cyclopropylpiperidin-4-yl)oxy-1-benzofuran-2-yl]formamide?
The IUPAC name of N-[5-(1-cyclopropylpiperidin-4-yl)oxy-1-benzofuran-2-yl]formamide (CID 141101818) is N-[5-(1-cyclopropylpiperidin-4-yl)oxy-1-benzofuran-2-yl]formamide.
What is the SMILES notation for N-[5-(1-cyclopropylpiperidin-4-yl)oxy-1-benzofuran-2-yl]formamide?
The canonical SMILES for N-[5-(1-cyclopropylpiperidin-4-yl)oxy-1-benzofuran-2-yl]formamide is O=CNc1cc2cc(OC3CCN(C4CC4)CC3)ccc2o1.
What is the InChIKey of N-[5-(1-cyclopropylpiperidin-4-yl)oxy-1-benzofuran-2-yl]formamide?
The InChIKey is BMLKTYDFQKBNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-11-18-17-10-12-9-15(3-4-16(12)22-17)21-14-5-7-19(8-6-14)13-1-2-13/h3-4,9-11,13-14H,1-2,5-8H2,(H,18,20).
What are the key properties of N-[5-(1-cyclopropylpiperidin-4-yl)oxy-1-benzofuran-2-yl]formamide?
N-[5-(1-cyclopropylpiperidin-4-yl)oxy-1-benzofuran-2-yl]formamide has a molecular weight of 300.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-cyclopropylpiperidin-4-yl)oxy-1-benzofuran-2-yl]formamide is sourced from PubChem (CID 141101818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).