4-cyclobutyl-N-(2,3-dihydro-1-benzofuran-4-yl)-4-hydroxypiperidine-1-carboxamide

C18H24N2O3 — CID 138025168

IUPAC4-cyclobutyl-N-(2,3-dihydro-1-benzofuran-4-yl)-4-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cccc2c1CCO2)N1CCC(O)(C2CCC2)CC1
InChIInChI=1S/C18H24N2O3/c21-17(19-15-5-2-6-16-14(15)7-12-23-16)20-10-8-18(22,9-11-20)13-3-1-4-13/h2,5-6,13,22H,1,3-4,7-12H2,(H,19,21)
InChIKeyQHWQQTXTDKEUAL-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.78
Rot. Bonds2

About 4-cyclobutyl-N-(2,3-dihydro-1-benzofuran-4-yl)-4-hydroxypiperidine-1-carboxamide

4-cyclobutyl-N-(2,3-dihydro-1-benzofuran-4-yl)-4-hydroxypiperidine-1-carboxamide (PubChem CID 138025168) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-cyclobutyl-N-(2,3-dihydro-1-benzofuran-4-yl)-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyclobutyl-N-(2,3-dihydro-1-benzofuran-4-yl)-4-hydroxypiperidine-1-carboxamide
PubChem CID138025168
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-cyclobutyl-N-(2,3-dihydro-1-benzofuran-4-yl)-4-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cccc2c1CCO2)N1CCC(O)(C2CCC2)CC1
InChIInChI=1S/C18H24N2O3/c21-17(19-15-5-2-6-16-14(15)7-12-23-16)20-10-8-18(22,9-11-20)13-3-1-4-13/h2,5-6,13,22H,1,3-4,7-12H2,(H,19,21)
InChIKeyQHWQQTXTDKEUAL-UHFFFAOYSA-N
XLogP2.78
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-N-(2,3-dihydro-1-benzofuran-4-yl)-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of 4-cyclobutyl-N-(2,3-dihydro-1-benzofuran-4-yl)-4-hydroxypiperidine-1-carboxamide (CID 138025168) is 4-cyclobutyl-N-(2,3-dihydro-1-benzofuran-4-yl)-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 4-cyclobutyl-N-(2,3-dihydro-1-benzofuran-4-yl)-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 4-cyclobutyl-N-(2,3-dihydro-1-benzofuran-4-yl)-4-hydroxypiperidine-1-carboxamide is O=C(Nc1cccc2c1CCO2)N1CCC(O)(C2CCC2)CC1.
What is the InChIKey of 4-cyclobutyl-N-(2,3-dihydro-1-benzofuran-4-yl)-4-hydroxypiperidine-1-carboxamide?
The InChIKey is QHWQQTXTDKEUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(19-15-5-2-6-16-14(15)7-12-23-16)20-10-8-18(22,9-11-20)13-3-1-4-13/h2,5-6,13,22H,1,3-4,7-12H2,(H,19,21).
What are the key properties of 4-cyclobutyl-N-(2,3-dihydro-1-benzofuran-4-yl)-4-hydroxypiperidine-1-carboxamide?
4-cyclobutyl-N-(2,3-dihydro-1-benzofuran-4-yl)-4-hydroxypiperidine-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-N-(2,3-dihydro-1-benzofuran-4-yl)-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 138025168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).