N-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide

C22H25N3O4 — CID 86910638

IUPACN-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
SMILESCOc1cc2c(cc1NCC(=O)NC1CCN(C(C)=O)CC1)oc1ccccc12
InChIInChI=1S/C22H25N3O4/c1-14(26)25-9-7-15(8-10-25)24-22(27)13-23-18-12-20-17(11-21(18)28-2)16-5-3-4-6-19(16)29-20/h3-6,11-12,15,23H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyPQACVRLYJMGETK-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.13
Rot. Bonds5

About N-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide

N-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide (PubChem CID 86910638) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
PubChem CID86910638
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
SMILESCOc1cc2c(cc1NCC(=O)NC1CCN(C(C)=O)CC1)oc1ccccc12
InChIInChI=1S/C22H25N3O4/c1-14(26)25-9-7-15(8-10-25)24-22(27)13-23-18-12-20-17(11-21(18)28-2)16-5-3-4-6-19(16)29-20/h3-6,11-12,15,23H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyPQACVRLYJMGETK-UHFFFAOYSA-N
XLogP3.13
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_A(4)', 'substructure': 'N/A'}

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium
CID 9053504
2-[(2-methoxydibenzofuran-3-yl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 41397481
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 16580953
tert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 52775307
N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55897560
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31693977
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
N-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide
CID 78823282
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 42068320
N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide
CID 119037539

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide (CID 86910638) is N-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide is COc1cc2c(cc1NCC(=O)NC1CCN(C(C)=O)CC1)oc1ccccc12.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide?
The InChIKey is PQACVRLYJMGETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14(26)25-9-7-15(8-10-25)24-22(27)13-23-18-12-20-17(11-21(18)28-2)16-5-3-4-6-19(16)29-20/h3-6,11-12,15,23H,7-10,13H2,1-2H3,(H,24,27).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide?
N-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide has a molecular weight of 395.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide is sourced from PubChem (CID 86910638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).