1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide

C15H19N3O3 — CID 77041903

IUPAC1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)C2Cc3ccccc3O2)C1
InChIInChI=1S/C15H19N3O3/c16-14(17-20)11-5-3-7-18(9-11)15(19)13-8-10-4-1-2-6-12(10)21-13/h1-2,4,6,11,13,20H,3,5,7-9H2,(H2,16,17)
InChIKeySZUADGMVROESBA-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.98
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide

1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide (PubChem CID 77041903) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
PubChem CID77041903
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)C2Cc3ccccc3O2)C1
InChIInChI=1S/C15H19N3O3/c16-14(17-20)11-5-3-7-18(9-11)15(19)13-8-10-4-1-2-6-12(10)21-13/h1-2,4,6,11,13,20H,3,5,7-9H2,(H2,16,17)
InChIKeySZUADGMVROESBA-UHFFFAOYSA-N
XLogP0.98
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
[(3S)-3-aminopyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone;hydrochloride
CID 119934449
[3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
CID 62061970
propan-2-yl 2-[(3S)-1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-3-yl]acetate
CID 124617317
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341550
N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide
CID 77041531
N-[[(3S)-1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 95280258
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95326507
[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 26002541
[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 51238687
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 94819696
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107069164

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide (CID 77041903) is 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide is NC(=NO)C1CCCN(C(=O)C2Cc3ccccc3O2)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide?
The InChIKey is SZUADGMVROESBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-14(17-20)11-5-3-7-18(9-11)15(19)13-8-10-4-1-2-6-12(10)21-13/h1-2,4,6,11,13,20H,3,5,7-9H2,(H2,16,17).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide?
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide has a molecular weight of 289.33 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide is sourced from PubChem (CID 77041903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).