1-benzoyl-N'-hydroxy-4-(2-hydroxyethoxy)piperidine-4-carboximidamide

C15H21N3O4 — CID 59022526

IUPAC1-benzoyl-N'-hydroxy-4-(2-hydroxyethoxy)piperidine-4-carboximidamide
SMILESN/C(=N\O)C1(OCCO)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O4/c16-14(17-21)15(22-11-10-19)6-8-18(9-7-15)13(20)12-4-2-1-3-5-12/h1-5,19,21H,6-11H2,(H2,16,17)
InChIKeyLSHZHPBONLSWRQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.42
Rot. Bonds5

About 1-benzoyl-N'-hydroxy-4-(2-hydroxyethoxy)piperidine-4-carboximidamide

1-benzoyl-N'-hydroxy-4-(2-hydroxyethoxy)piperidine-4-carboximidamide (PubChem CID 59022526) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-benzoyl-N'-hydroxy-4-(2-hydroxyethoxy)piperidine-4-carboximidamide.

Molecular Properties

Compound Name1-benzoyl-N'-hydroxy-4-(2-hydroxyethoxy)piperidine-4-carboximidamide
PubChem CID59022526
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name1-benzoyl-N'-hydroxy-4-(2-hydroxyethoxy)piperidine-4-carboximidamide
SMILESN/C(=N\O)C1(OCCO)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O4/c16-14(17-21)15(22-11-10-19)6-8-18(9-7-15)13(20)12-4-2-1-3-5-12/h1-5,19,21H,6-11H2,(H2,16,17)
InChIKeyLSHZHPBONLSWRQ-UHFFFAOYSA-N
XLogP0.42
TPSA108.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N'-hydroxy-4-(2-hydroxyethoxy)piperidine-4-carboximidamide?
The IUPAC name of 1-benzoyl-N'-hydroxy-4-(2-hydroxyethoxy)piperidine-4-carboximidamide (CID 59022526) is 1-benzoyl-N'-hydroxy-4-(2-hydroxyethoxy)piperidine-4-carboximidamide.
What is the SMILES notation for 1-benzoyl-N'-hydroxy-4-(2-hydroxyethoxy)piperidine-4-carboximidamide?
The canonical SMILES for 1-benzoyl-N'-hydroxy-4-(2-hydroxyethoxy)piperidine-4-carboximidamide is N/C(=N\O)C1(OCCO)CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N'-hydroxy-4-(2-hydroxyethoxy)piperidine-4-carboximidamide?
The InChIKey is LSHZHPBONLSWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c16-14(17-21)15(22-11-10-19)6-8-18(9-7-15)13(20)12-4-2-1-3-5-12/h1-5,19,21H,6-11H2,(H2,16,17).
What are the key properties of 1-benzoyl-N'-hydroxy-4-(2-hydroxyethoxy)piperidine-4-carboximidamide?
1-benzoyl-N'-hydroxy-4-(2-hydroxyethoxy)piperidine-4-carboximidamide has a molecular weight of 307.35 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N'-hydroxy-4-(2-hydroxyethoxy)piperidine-4-carboximidamide is sourced from PubChem (CID 59022526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).