N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide

C15H22N4O2 — CID 76986915

IUPACN'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide
SMILESNC(=NO)c1ccc(N2CCC(N3CCOCC3)C2)cc1
InChIInChI=1S/C15H22N4O2/c16-15(17-20)12-1-3-13(4-2-12)19-6-5-14(11-19)18-7-9-21-10-8-18/h1-4,14,20H,5-11H2,(H2,16,17)
InChIKeyDATDBLZXEZNZFT-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.69
Rot. Bonds3

About N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide

N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide (PubChem CID 76986915) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide
PubChem CID76986915
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide
SMILESNC(=NO)c1ccc(N2CCC(N3CCOCC3)C2)cc1
InChIInChI=1S/C15H22N4O2/c16-15(17-20)12-1-3-13(4-2-12)19-6-5-14(11-19)18-7-9-21-10-8-18/h1-4,14,20H,5-11H2,(H2,16,17)
InChIKeyDATDBLZXEZNZFT-UHFFFAOYSA-N
XLogP0.69
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
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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Related Compounds

N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 76981328
N'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
CID 43188193
2-amino-5-(3-morpholin-4-ylpyrrolidin-1-yl)benzoic acid
CID 63174659
2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 63170463
1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 63794882
6-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboximidamide
CID 63170283
tert-butyl 4-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]piperidin-4-yl]piperazine-1-carboxylate
CID 139714818
N'-hydroxy-4-(4-methylazepan-1-yl)benzenecarboximidamide
CID 77001998
N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 55050027
N'-hydroxy-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 76986935
4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 24878688
2-[2-amino-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]acetonitrile
CID 102624315

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide (CID 76986915) is N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide is NC(=NO)c1ccc(N2CCC(N3CCOCC3)C2)cc1.
What is the InChIKey of N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide?
The InChIKey is DATDBLZXEZNZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-15(17-20)12-1-3-13(4-2-12)19-6-5-14(11-19)18-7-9-21-10-8-18/h1-4,14,20H,5-11H2,(H2,16,17).
What are the key properties of N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide?
N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide has a molecular weight of 290.37 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 76986915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).