N'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide

C15H17N3O3 — CID 118041590

IUPACN'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide
SMILESN/C(=N\O)c1cc2ccc(N3CCCCC3)cc2oc1=O
InChIInChI=1S/C15H17N3O3/c16-14(17-20)12-8-10-4-5-11(9-13(10)21-15(12)19)18-6-2-1-3-7-18/h4-5,8-9,20H,1-3,6-7H2,(H2,16,17)
InChIKeyISTNPLUMBQLLNI-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.88
Rot. Bonds2

About N'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide

N'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide (PubChem CID 118041590) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide
PubChem CID118041590
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide
SMILESN/C(=N\O)c1cc2ccc(N3CCCCC3)cc2oc1=O
InChIInChI=1S/C15H17N3O3/c16-14(17-20)12-8-10-4-5-11(9-13(10)21-15(12)19)18-6-2-1-3-7-18/h4-5,8-9,20H,1-3,6-7H2,(H2,16,17)
InChIKeyISTNPLUMBQLLNI-UHFFFAOYSA-N
XLogP1.88
TPSA92.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

3-but-2-en-2-yl-7-pyrrolidin-1-ylchromen-2-one
CID 123593806
methyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate
CID 139267053
3-(1-benzofuran-2-carbonyl)-7-pyrrolidin-1-ylchromen-2-one
CID 21217315
7-morpholin-4-yl-2-oxochromene-3-carboxylic acid
CID 3469110
6-pyrrolidin-1-ylchromen-2-one
CID 168512411
carbon dioxide;7-piperidin-1-yl-3-thiophen-2-ylchromen-2-one
CID 163421980
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
7-hydroxy-3-(piperidine-1-carbonyl)chromen-2-one
CID 122206892
N'-hydroxy-4-(1,4-thiazepan-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 76903823
7-(4-tert-butylpiperazin-1-yl)-2-oxo-N-phenylchromene-3-carboxamide
CID 141376588
2-[7-(azetidin-1-yl)-2-oxochromen-3-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 162687736
3-(1-prop-2-enylpyridin-1-ium-4-yl)-7-pyrrolidin-1-ylchromen-2-one
CID 87648903

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide (CID 118041590) is N'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide is N/C(=N\O)c1cc2ccc(N3CCCCC3)cc2oc1=O.
What is the InChIKey of N'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide?
The InChIKey is ISTNPLUMBQLLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c16-14(17-20)12-8-10-4-5-11(9-13(10)21-15(12)19)18-6-2-1-3-7-18/h4-5,8-9,20H,1-3,6-7H2,(H2,16,17).
What are the key properties of N'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide?
N'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide has a molecular weight of 287.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide is sourced from PubChem (CID 118041590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).