N-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide

C21H25N3O5 — CID 167983743

IUPACN-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide
SMILESO=C1CC(C(=O)NCC2(NC(=O)C3COc4ccccc43)CCCC2)CC(=O)N1
InChIInChI=1S/C21H25N3O5/c25-17-9-13(10-18(26)23-17)19(27)22-12-21(7-3-4-8-21)24-20(28)15-11-29-16-6-2-1-5-14(15)16/h1-2,5-6,13,15H,3-4,7-12H2,(H,22,27)(H,24,28)(H,23,25,26)
InChIKeyJCCTUUZHLUIGQJ-UHFFFAOYSA-N
MW399.45 g/mol
LogP0.76
Rot. Bonds5

About N-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide

N-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide (PubChem CID 167983743) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide
PubChem CID167983743
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide
SMILESO=C1CC(C(=O)NCC2(NC(=O)C3COc4ccccc43)CCCC2)CC(=O)N1
InChIInChI=1S/C21H25N3O5/c25-17-9-13(10-18(26)23-17)19(27)22-12-21(7-3-4-8-21)24-20(28)15-11-29-16-6-2-1-5-14(15)16/h1-2,5-6,13,15H,3-4,7-12H2,(H,22,27)(H,24,28)(H,23,25,26)
InChIKeyJCCTUUZHLUIGQJ-UHFFFAOYSA-N
XLogP0.76
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide with MolForge

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Related Compounds

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 80710510
N-[4-(bromomethyl)oxan-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106300971
1-[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124636976
(3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97100987
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65123924
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115362407
N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64867410
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 114313869
N-[1-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395955
N-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 106297206
(3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 99808270

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide?
The IUPAC name of N-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide (CID 167983743) is N-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide is O=C1CC(C(=O)NCC2(NC(=O)C3COc4ccccc43)CCCC2)CC(=O)N1.
What is the InChIKey of N-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide?
The InChIKey is JCCTUUZHLUIGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c25-17-9-13(10-18(26)23-17)19(27)22-12-21(7-3-4-8-21)24-20(28)15-11-29-16-6-2-1-5-14(15)16/h1-2,5-6,13,15H,3-4,7-12H2,(H,22,27)(H,24,28)(H,23,25,26).
What are the key properties of N-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide?
N-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide is sourced from PubChem (CID 167983743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).