(1-oxo-1-piperidin-1-yloxypentan-3-yl) 5-cyano-2-benzofuran-4-carboxylate

C20H22N2O5 — CID 67673493

IUPAC(1-oxo-1-piperidin-1-yloxypentan-3-yl) 5-cyano-2-benzofuran-4-carboxylate
SMILESCCC(CC(=O)ON1CCCCC1)OC(=O)c1c(C#N)ccc2cocc12
InChIInChI=1S/C20H22N2O5/c1-2-16(10-18(23)27-22-8-4-3-5-9-22)26-20(24)19-14(11-21)6-7-15-12-25-13-17(15)19/h6-7,12-13,16H,2-5,8-10H2,1H3
InChIKeyNOYVJNIZXPGWJQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.57
Rot. Bonds6

About (1-oxo-1-piperidin-1-yloxypentan-3-yl) 5-cyano-2-benzofuran-4-carboxylate

(1-oxo-1-piperidin-1-yloxypentan-3-yl) 5-cyano-2-benzofuran-4-carboxylate (PubChem CID 67673493) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is (1-oxo-1-piperidin-1-yloxypentan-3-yl) 5-cyano-2-benzofuran-4-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-piperidin-1-yloxypentan-3-yl) 5-cyano-2-benzofuran-4-carboxylate
PubChem CID67673493
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name(1-oxo-1-piperidin-1-yloxypentan-3-yl) 5-cyano-2-benzofuran-4-carboxylate
SMILESCCC(CC(=O)ON1CCCCC1)OC(=O)c1c(C#N)ccc2cocc12
InChIInChI=1S/C20H22N2O5/c1-2-16(10-18(23)27-22-8-4-3-5-9-22)26-20(24)19-14(11-21)6-7-15-12-25-13-17(15)19/h6-7,12-13,16H,2-5,8-10H2,1H3
InChIKeyNOYVJNIZXPGWJQ-UHFFFAOYSA-N
XLogP3.57
TPSA92.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-piperidin-1-yloxypentan-3-yl) 5-cyano-2-benzofuran-4-carboxylate?
The IUPAC name of (1-oxo-1-piperidin-1-yloxypentan-3-yl) 5-cyano-2-benzofuran-4-carboxylate (CID 67673493) is (1-oxo-1-piperidin-1-yloxypentan-3-yl) 5-cyano-2-benzofuran-4-carboxylate.
What is the SMILES notation for (1-oxo-1-piperidin-1-yloxypentan-3-yl) 5-cyano-2-benzofuran-4-carboxylate?
The canonical SMILES for (1-oxo-1-piperidin-1-yloxypentan-3-yl) 5-cyano-2-benzofuran-4-carboxylate is CCC(CC(=O)ON1CCCCC1)OC(=O)c1c(C#N)ccc2cocc12.
What is the InChIKey of (1-oxo-1-piperidin-1-yloxypentan-3-yl) 5-cyano-2-benzofuran-4-carboxylate?
The InChIKey is NOYVJNIZXPGWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-2-16(10-18(23)27-22-8-4-3-5-9-22)26-20(24)19-14(11-21)6-7-15-12-25-13-17(15)19/h6-7,12-13,16H,2-5,8-10H2,1H3.
What are the key properties of (1-oxo-1-piperidin-1-yloxypentan-3-yl) 5-cyano-2-benzofuran-4-carboxylate?
(1-oxo-1-piperidin-1-yloxypentan-3-yl) 5-cyano-2-benzofuran-4-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-piperidin-1-yloxypentan-3-yl) 5-cyano-2-benzofuran-4-carboxylate is sourced from PubChem (CID 67673493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).