1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide

C22H25N3O4 — CID 51135163

IUPAC1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCC1(C)Cc2ccc(C(=O)N3CCC(C(=O)Nc4ccccn4)CC3)c(O)c2O1
InChIInChI=1S/C22H25N3O4/c1-22(2)13-15-6-7-16(18(26)19(15)29-22)21(28)25-11-8-14(9-12-25)20(27)24-17-5-3-4-10-23-17/h3-7,10,14,26H,8-9,11-13H2,1-2H3,(H,23,24,27)
InChIKeyUGBJQAAHYQNAIR-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.99
Rot. Bonds3

About 1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide

1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 51135163) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID51135163
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCC1(C)Cc2ccc(C(=O)N3CCC(C(=O)Nc4ccccn4)CC3)c(O)c2O1
InChIInChI=1S/C22H25N3O4/c1-22(2)13-15-6-7-16(18(26)19(15)29-22)21(28)25-11-8-14(9-12-25)20(27)24-17-5-3-4-10-23-17/h3-7,10,14,26H,8-9,11-13H2,1-2H3,(H,23,24,27)
InChIKeyUGBJQAAHYQNAIR-UHFFFAOYSA-N
XLogP2.99
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxypyridine-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808630
1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51123650
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700
1-(5-benzyl-2-hydroxybenzoyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51132718
1-(2-oxo-1H-quinoline-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 71893089
1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808313
1-[2-(2-fluorophenyl)sulfanyl-5-nitrobenzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808631
(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)methanone
CID 136567430
N-pyridin-2-yl-1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidine-4-carboxamide
CID 55808350
1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808341
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
(4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone
CID 2738416

Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide (CID 51135163) is 1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide is CC1(C)Cc2ccc(C(=O)N3CCC(C(=O)Nc4ccccn4)CC3)c(O)c2O1.
What is the InChIKey of 1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is UGBJQAAHYQNAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-22(2)13-15-6-7-16(18(26)19(15)29-22)21(28)25-11-8-14(9-12-25)20(27)24-17-5-3-4-10-23-17/h3-7,10,14,26H,8-9,11-13H2,1-2H3,(H,23,24,27).
What are the key properties of 1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 51135163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).