1-(3-oxo-1H-2-benzofuran-1-yl)piperidine-4-carboxamide

C14H16N2O3 — CID 662257

IUPAC1-(3-oxo-1H-2-benzofuran-1-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2OC(=O)c3ccccc32)CC1
InChIInChI=1S/C14H16N2O3/c15-12(17)9-5-7-16(8-6-9)13-10-3-1-2-4-11(10)14(18)19-13/h1-4,9,13H,5-8H2,(H2,15,17)
InChIKeySKVJABCJKKPAIP-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.05
Rot. Bonds2

About 1-(3-oxo-1H-2-benzofuran-1-yl)piperidine-4-carboxamide

1-(3-oxo-1H-2-benzofuran-1-yl)piperidine-4-carboxamide (PubChem CID 662257) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(3-oxo-1H-2-benzofuran-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-oxo-1H-2-benzofuran-1-yl)piperidine-4-carboxamide
PubChem CID662257
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(3-oxo-1H-2-benzofuran-1-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2OC(=O)c3ccccc32)CC1
InChIInChI=1S/C14H16N2O3/c15-12(17)9-5-7-16(8-6-9)13-10-3-1-2-4-11(10)14(18)19-13/h1-4,9,13H,5-8H2,(H2,15,17)
InChIKeySKVJABCJKKPAIP-UHFFFAOYSA-N
XLogP1.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-1H-2-benzofuran-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-oxo-1H-2-benzofuran-1-yl)piperidine-4-carboxamide (CID 662257) is 1-(3-oxo-1H-2-benzofuran-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-oxo-1H-2-benzofuran-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-oxo-1H-2-benzofuran-1-yl)piperidine-4-carboxamide is NC(=O)C1CCN(C2OC(=O)c3ccccc32)CC1.
What is the InChIKey of 1-(3-oxo-1H-2-benzofuran-1-yl)piperidine-4-carboxamide?
The InChIKey is SKVJABCJKKPAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-12(17)9-5-7-16(8-6-9)13-10-3-1-2-4-11(10)14(18)19-13/h1-4,9,13H,5-8H2,(H2,15,17).
What are the key properties of 1-(3-oxo-1H-2-benzofuran-1-yl)piperidine-4-carboxamide?
1-(3-oxo-1H-2-benzofuran-1-yl)piperidine-4-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-1H-2-benzofuran-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 662257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).