4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide

C20H28N2O3 — CID 136562958

IUPAC4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide
SMILESCC1(C)Cc2cccc(NC(=O)N3CCC(O)(C4CCC4)CC3)c2O1
InChIInChI=1S/C20H28N2O3/c1-19(2)13-14-5-3-8-16(17(14)25-19)21-18(23)22-11-9-20(24,10-12-22)15-6-4-7-15/h3,5,8,15,24H,4,6-7,9-13H2,1-2H3,(H,21,23)
InChIKeySZFXTUYFZAXVLU-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.56
Rot. Bonds2

About 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide

4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide (PubChem CID 136562958) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide
PubChem CID136562958
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide
SMILESCC1(C)Cc2cccc(NC(=O)N3CCC(O)(C4CCC4)CC3)c2O1
InChIInChI=1S/C20H28N2O3/c1-19(2)13-14-5-3-8-16(17(14)25-19)21-18(23)22-11-9-20(24,10-12-22)15-6-4-7-15/h3,5,8,15,24H,4,6-7,9-13H2,1-2H3,(H,21,23)
InChIKeySZFXTUYFZAXVLU-UHFFFAOYSA-N
XLogP3.56
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide (CID 136562958) is 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide is CC1(C)Cc2cccc(NC(=O)N3CCC(O)(C4CCC4)CC3)c2O1.
What is the InChIKey of 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide?
The InChIKey is SZFXTUYFZAXVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-19(2)13-14-5-3-8-16(17(14)25-19)21-18(23)22-11-9-20(24,10-12-22)15-6-4-7-15/h3,5,8,15,24H,4,6-7,9-13H2,1-2H3,(H,21,23).
What are the key properties of 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide?
4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 136562958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).