N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide

C25H26N2O6 — CID 56588510

IUPACN-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2CCN(C(=O)C(=O)c3cc4ccccc4o3)CC2)c1
InChIInChI=1S/C25H26N2O6/c1-31-19-11-18(12-20(14-19)32-2)24(29)26-15-16-7-9-27(10-8-16)25(30)23(28)22-13-17-5-3-4-6-21(17)33-22/h3-6,11-14,16H,7-10,15H2,1-2H3,(H,26,29)
InChIKeyMBCBIAUFDJUKOO-UHFFFAOYSA-N
MW450.49 g/mol
LogP3.30
Rot. Bonds7

About N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide

N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide (PubChem CID 56588510) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide
PubChem CID56588510
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC NameN-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2CCN(C(=O)C(=O)c3cc4ccccc4o3)CC2)c1
InChIInChI=1S/C25H26N2O6/c1-31-19-11-18(12-20(14-19)32-2)24(29)26-15-16-7-9-27(10-8-16)25(30)23(28)22-13-17-5-3-4-6-21(17)33-22/h3-6,11-14,16H,7-10,15H2,1-2H3,(H,26,29)
InChIKeyMBCBIAUFDJUKOO-UHFFFAOYSA-N
XLogP3.30
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide
CID 56588504
N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 56588503
N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 56588520
N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide
CID 56588472
[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473746
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927052
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81089783
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide (CID 56588510) is N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC2CCN(C(=O)C(=O)c3cc4ccccc4o3)CC2)c1.
What is the InChIKey of N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide?
The InChIKey is MBCBIAUFDJUKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-31-19-11-18(12-20(14-19)32-2)24(29)26-15-16-7-9-27(10-8-16)25(30)23(28)22-13-17-5-3-4-6-21(17)33-22/h3-6,11-14,16H,7-10,15H2,1-2H3,(H,26,29).
What are the key properties of N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide?
N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide has a molecular weight of 450.49 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 56588510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).