N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide

C14H16N2O2 — CID 93216054

IUPACN-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide
SMILESO=C(N[C@@H]1CCCNC1)c1cc2ccccc2o1
InChIInChI=1S/C14H16N2O2/c17-14(16-11-5-3-7-15-9-11)13-8-10-4-1-2-6-12(10)18-13/h1-2,4,6,8,11,15H,3,5,7,9H2,(H,16,17)/t11-/m1/s1
InChIKeyGPTIFNWADGFGIY-LLVKDONJSA-N
MW244.29 g/mol
LogP1.91
Rot. Bonds2

About N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide

N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 93216054) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide
PubChem CID93216054
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide
SMILESO=C(N[C@@H]1CCCNC1)c1cc2ccccc2o1
InChIInChI=1S/C14H16N2O2/c17-14(16-11-5-3-7-15-9-11)13-8-10-4-1-2-6-12(10)18-13/h1-2,4,6,8,11,15H,3,5,7,9H2,(H,16,17)/t11-/m1/s1
InChIKeyGPTIFNWADGFGIY-LLVKDONJSA-N
XLogP1.91
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide (CID 93216054) is N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide is O=C(N[C@@H]1CCCNC1)c1cc2ccccc2o1.
What is the InChIKey of N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is GPTIFNWADGFGIY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-14(16-11-5-3-7-15-9-11)13-8-10-4-1-2-6-12(10)18-13/h1-2,4,6,8,11,15H,3,5,7,9H2,(H,16,17)/t11-/m1/s1.
What are the key properties of N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide?
N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 93216054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).