N-[N-hydroxy-C-[4-(2-hydroxyethoxy)piperidin-4-yl]carbonimidoyl]benzamide

C15H21N3O4 — CID 173173182

IUPACN-[N-hydroxy-C-[4-(2-hydroxyethoxy)piperidin-4-yl]carbonimidoyl]benzamide
SMILESO=C(NC(=NO)C1(OCCO)CCNCC1)c1ccccc1
InChIInChI=1S/C15H21N3O4/c19-10-11-22-15(6-8-16-9-7-15)14(18-21)17-13(20)12-4-2-1-3-5-12/h1-5,16,19,21H,6-11H2,(H,17,18,20)
InChIKeyNUAPHNWGFIYZJM-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.34
Rot. Bonds5

About N-[N-hydroxy-C-[4-(2-hydroxyethoxy)piperidin-4-yl]carbonimidoyl]benzamide

N-[N-hydroxy-C-[4-(2-hydroxyethoxy)piperidin-4-yl]carbonimidoyl]benzamide (PubChem CID 173173182) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[N-hydroxy-C-[4-(2-hydroxyethoxy)piperidin-4-yl]carbonimidoyl]benzamide.

Molecular Properties

Compound NameN-[N-hydroxy-C-[4-(2-hydroxyethoxy)piperidin-4-yl]carbonimidoyl]benzamide
PubChem CID173173182
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-[N-hydroxy-C-[4-(2-hydroxyethoxy)piperidin-4-yl]carbonimidoyl]benzamide
SMILESO=C(NC(=NO)C1(OCCO)CCNCC1)c1ccccc1
InChIInChI=1S/C15H21N3O4/c19-10-11-22-15(6-8-16-9-7-15)14(18-21)17-13(20)12-4-2-1-3-5-12/h1-5,16,19,21H,6-11H2,(H,17,18,20)
InChIKeyNUAPHNWGFIYZJM-UHFFFAOYSA-N
XLogP0.34
TPSA103.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

N-[(4R,5R)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide
CID 21853760
N-[(4R,5S)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide
CID 89298642
N-[(4S,5R)-5-hydroxy-3-morpholin-4-yl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]benzamide
CID 21853761
diethyl (Z)-2-[(Z)-[amino-[1-benzoyl-4-(2-hydroxyethoxy)piperidin-4-yl]methylidene]amino]oxybut-2-enedioate
CID 59022462
1-benzoyl-N'-hydroxy-4-(2-hydroxyethoxy)piperidine-4-carboximidamide
CID 59022526
N-[(4R,5R)-5-hydroxy-5-methyl-3-morpholin-4-yl-4H-1,2-oxazol-4-yl]benzamide
CID 59652510
N-[(4R,5S)-5-hydroxy-5-methyl-3-morpholin-4-yl-4H-1,2-oxazol-4-yl]benzamide
CID 59652656
Diethyl 2-[[amino-[1-benzoyl-4-(2-hydroxyethoxy)piperidin-4-yl]methylidene]amino]oxybut-2-enedioate
CID 72492170
1-benzoyl-N'-hydroxy-4-(2-hydroxyethoxy)piperidine-4-carboximidamide
CID 72492200
Diethyl 2-[benzoyl-[4-(2-hydroxyethoxy)piperidine-4-carboximidoyl]amino]oxybut-2-enedioate
CID 87850687
N-[(2S,3R)-4-acetamido-3-ethoxy-2-hydroxybutyl]benzamide
CID 129206733
N-(2-hydroxy-3-morpholin-4-ylpropoxy)benzamide
CID 142108911

Frequently Asked Questions

What is the IUPAC name of N-[N-hydroxy-C-[4-(2-hydroxyethoxy)piperidin-4-yl]carbonimidoyl]benzamide?
The IUPAC name of N-[N-hydroxy-C-[4-(2-hydroxyethoxy)piperidin-4-yl]carbonimidoyl]benzamide (CID 173173182) is N-[N-hydroxy-C-[4-(2-hydroxyethoxy)piperidin-4-yl]carbonimidoyl]benzamide.
What is the SMILES notation for N-[N-hydroxy-C-[4-(2-hydroxyethoxy)piperidin-4-yl]carbonimidoyl]benzamide?
The canonical SMILES for N-[N-hydroxy-C-[4-(2-hydroxyethoxy)piperidin-4-yl]carbonimidoyl]benzamide is O=C(NC(=NO)C1(OCCO)CCNCC1)c1ccccc1.
What is the InChIKey of N-[N-hydroxy-C-[4-(2-hydroxyethoxy)piperidin-4-yl]carbonimidoyl]benzamide?
The InChIKey is NUAPHNWGFIYZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c19-10-11-22-15(6-8-16-9-7-15)14(18-21)17-13(20)12-4-2-1-3-5-12/h1-5,16,19,21H,6-11H2,(H,17,18,20).
What are the key properties of N-[N-hydroxy-C-[4-(2-hydroxyethoxy)piperidin-4-yl]carbonimidoyl]benzamide?
N-[N-hydroxy-C-[4-(2-hydroxyethoxy)piperidin-4-yl]carbonimidoyl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 0.34, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-hydroxy-C-[4-(2-hydroxyethoxy)piperidin-4-yl]carbonimidoyl]benzamide is sourced from PubChem (CID 173173182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).