1-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-carbonyl]-4-hydroxypiperidine-4-carboxamide

C24H27N3O5 — CID 45138654

IUPAC1-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-carbonyl]-4-hydroxypiperidine-4-carboxamide
SMILESCC(C)(C)c1cc(-c2ccc[nH]c2=O)cc2c(C(=O)N3CCC(O)(C(N)=O)CC3)coc12
InChIInChI=1S/C24H27N3O5/c1-23(2,3)18-12-14(15-5-4-8-26-20(15)28)11-16-17(13-32-19(16)18)21(29)27-9-6-24(31,7-10-27)22(25)30/h4-5,8,11-13,31H,6-7,9-10H2,1-3H3,(H2,25,30)(H,26,28)
InChIKeyLRLAANVMXBTPQW-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.54
Rot. Bonds3

About 1-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-carbonyl]-4-hydroxypiperidine-4-carboxamide

1-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-carbonyl]-4-hydroxypiperidine-4-carboxamide (PubChem CID 45138654) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-carbonyl]-4-hydroxypiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-carbonyl]-4-hydroxypiperidine-4-carboxamide
PubChem CID45138654
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name1-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-carbonyl]-4-hydroxypiperidine-4-carboxamide
SMILESCC(C)(C)c1cc(-c2ccc[nH]c2=O)cc2c(C(=O)N3CCC(O)(C(N)=O)CC3)coc12
InChIInChI=1S/C24H27N3O5/c1-23(2,3)18-12-14(15-5-4-8-26-20(15)28)11-16-17(13-32-19(16)18)21(29)27-9-6-24(31,7-10-27)22(25)30/h4-5,8,11-13,31H,6-7,9-10H2,1-3H3,(H2,25,30)(H,26,28)
InChIKeyLRLAANVMXBTPQW-UHFFFAOYSA-N
XLogP2.54
TPSA129.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-carbamoylphenyl)-N-(2-methylpropyl)-1-benzofuran-7-carboxamide
CID 46942599
N-benzyl-3-(3-carbamoylphenyl)-1-benzofuran-7-carboxamide
CID 46942671
3-(3-carbamoylphenyl)-N-(3-methoxypropyl)-1-benzofuran-7-carboxamide
CID 46943692
3-(3-carbamoylphenyl)-N-(2-phenylethyl)-1-benzofuran-7-carboxamide
CID 49790950
3-(4-methoxy-2-methylphenyl)-N-(oxan-4-ylmethyl)-1-benzofuran-7-carboxamide
CID 49791080
6-(4-tert-butylphenyl)-N-piperidin-4-yl-1-benzofuran-3-carboxamide
CID 164610333
2-(4-fluorophenyl)-5-[3-(hydroxymethyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 59275265
US11584748, Example 80
CID 146189670
US11584748, Example 44
CID 146198286
3-(3-carbamoylphenyl)-N-(2-methoxyethyl)-1-benzofuran-7-carboxamide
CID 46948623
3-(4-methoxy-2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1-benzofuran-7-carboxamide
CID 49786592
(3R*,4R*)-4-ethyl-1-[(2-methyl-1-benzofuran-7-yl)carbonyl]piperidine-3,4-diol
CID 70724657

Frequently Asked Questions

What is the IUPAC name of 1-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-carbonyl]-4-hydroxypiperidine-4-carboxamide?
The IUPAC name of 1-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-carbonyl]-4-hydroxypiperidine-4-carboxamide (CID 45138654) is 1-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-carbonyl]-4-hydroxypiperidine-4-carboxamide.
What is the SMILES notation for 1-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-carbonyl]-4-hydroxypiperidine-4-carboxamide?
The canonical SMILES for 1-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-carbonyl]-4-hydroxypiperidine-4-carboxamide is CC(C)(C)c1cc(-c2ccc[nH]c2=O)cc2c(C(=O)N3CCC(O)(C(N)=O)CC3)coc12.
What is the InChIKey of 1-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-carbonyl]-4-hydroxypiperidine-4-carboxamide?
The InChIKey is LRLAANVMXBTPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-23(2,3)18-12-14(15-5-4-8-26-20(15)28)11-16-17(13-32-19(16)18)21(29)27-9-6-24(31,7-10-27)22(25)30/h4-5,8,11-13,31H,6-7,9-10H2,1-3H3,(H2,25,30)(H,26,28).
What are the key properties of 1-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-carbonyl]-4-hydroxypiperidine-4-carboxamide?
1-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-carbonyl]-4-hydroxypiperidine-4-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-carbonyl]-4-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 45138654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).