N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide

C22H21N3O4 — CID 56588503

IUPACN-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)C(=O)c2cc3ccccc3o2)CC1)c1cccnc1
InChIInChI=1S/C22H21N3O4/c26-20(19-12-16-4-1-2-6-18(16)29-19)22(28)25-10-7-15(8-11-25)13-24-21(27)17-5-3-9-23-14-17/h1-6,9,12,14-15H,7-8,10-11,13H2,(H,24,27)
InChIKeyQLZVEVZTOXFOHM-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.68
Rot. Bonds5

About N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide

N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 56588503) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
PubChem CID56588503
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)C(=O)c2cc3ccccc3o2)CC1)c1cccnc1
InChIInChI=1S/C22H21N3O4/c26-20(19-12-16-4-1-2-6-18(16)29-19)22(28)25-10-7-15(8-11-25)13-24-21(27)17-5-3-9-23-14-17/h1-6,9,12,14-15H,7-8,10-11,13H2,(H,24,27)
InChIKeyQLZVEVZTOXFOHM-UHFFFAOYSA-N
XLogP2.68
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-3,5-dimethoxybenzamide
CID 56588510
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 90521562
N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924745
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-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 72716918
N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924591
N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]naphthalene-2-carboxamide
CID 16895883
N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide
CID 56588472
N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924721
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 90521311
N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924696

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide (CID 56588503) is N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide is O=C(NCC1CCN(C(=O)C(=O)c2cc3ccccc3o2)CC1)c1cccnc1.
What is the InChIKey of N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is QLZVEVZTOXFOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c26-20(19-12-16-4-1-2-6-18(16)29-19)22(28)25-10-7-15(8-11-25)13-24-21(27)17-5-3-9-23-14-17/h1-6,9,12,14-15H,7-8,10-11,13H2,(H,24,27).
What are the key properties of N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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]pyridine-3-carboxamide is sourced from PubChem (CID 56588503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).