1-(3,5-dimethoxybenzoyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidine-4-carboxamide

C27H34N2O6 — CID 55719041

IUPAC1-(3,5-dimethoxybenzoyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)NCCOc3cccc4c3OC(C)(C)C4)CC2)c1
InChIInChI=1S/C27H34N2O6/c1-27(2)17-19-6-5-7-23(24(19)35-27)34-13-10-28-25(30)18-8-11-29(12-9-18)26(31)20-14-21(32-3)16-22(15-20)33-4/h5-7,14-16,18H,8-13,17H2,1-4H3,(H,28,30)
InChIKeyGGLQGBKACPVVAB-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.46
Rot. Bonds8

About 1-(3,5-dimethoxybenzoyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidine-4-carboxamide

1-(3,5-dimethoxybenzoyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidine-4-carboxamide (PubChem CID 55719041) has the molecular formula C27H34N2O6 and a molecular weight of 482.58 g/mol. Its IUPAC name is 1-(3,5-dimethoxybenzoyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethoxybenzoyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidine-4-carboxamide
PubChem CID55719041
Molecular FormulaC27H34N2O6
Molecular Weight482.58 g/mol
Exact Mass482.24
IUPAC Name1-(3,5-dimethoxybenzoyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)NCCOc3cccc4c3OC(C)(C)C4)CC2)c1
InChIInChI=1S/C27H34N2O6/c1-27(2)17-19-6-5-7-23(24(19)35-27)34-13-10-28-25(30)18-8-11-29(12-9-18)26(31)20-14-21(32-3)16-22(15-20)33-4/h5-7,14-16,18H,8-13,17H2,1-4H3,(H,28,30)
InChIKeyGGLQGBKACPVVAB-UHFFFAOYSA-N
XLogP3.46
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclohexanecarboxamide
CID 39285980
1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55791758
1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 55719644
1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119507447
3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
CID 31825043
N-[2-(3-methoxyphenoxy)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46451115
(3S)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51938314
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 55761073
3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
CID 47031231
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
N-[2-(2-chlorophenoxy)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 4918924

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidine-4-carboxamide (CID 55719041) is 1-(3,5-dimethoxybenzoyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethoxybenzoyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethoxybenzoyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidine-4-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCCOc3cccc4c3OC(C)(C)C4)CC2)c1.
What is the InChIKey of 1-(3,5-dimethoxybenzoyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidine-4-carboxamide?
The InChIKey is GGLQGBKACPVVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O6/c1-27(2)17-19-6-5-7-23(24(19)35-27)34-13-10-28-25(30)18-8-11-29(12-9-18)26(31)20-14-21(32-3)16-22(15-20)33-4/h5-7,14-16,18H,8-13,17H2,1-4H3,(H,28,30).
What are the key properties of 1-(3,5-dimethoxybenzoyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidine-4-carboxamide?
1-(3,5-dimethoxybenzoyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidine-4-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxybenzoyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55719041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).