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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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).