2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpiperidin-4-yl)acetamide

C15H22N4O2 — CID 77001782

IUPAC2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)Cc2ccc(C(N)=NO)cc2)CC1
InChIInChI=1S/C15H22N4O2/c1-19-8-6-13(7-9-19)17-14(20)10-11-2-4-12(5-3-11)15(16)18-21/h2-5,13,21H,6-10H2,1H3,(H2,16,18)(H,17,20)
InChIKeyDYZGWUGXAPBANO-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.53
Rot. Bonds4

About 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpiperidin-4-yl)acetamide

2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 77001782) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID77001782
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)Cc2ccc(C(N)=NO)cc2)CC1
InChIInChI=1S/C15H22N4O2/c1-19-8-6-13(7-9-19)17-14(20)10-11-2-4-12(5-3-11)15(16)18-21/h2-5,13,21H,6-10H2,1H3,(H2,16,18)(H,17,20)
InChIKeyDYZGWUGXAPBANO-UHFFFAOYSA-N
XLogP0.53
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.53
H-Bond Donors ≤ 53
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-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpyrrolidin-3-yl)acetamide
CID 77001325
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(oxan-4-yl)acetamide
CID 77001460
2-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 110463124
N-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
CID 77020413
N-(1-methylpiperidin-4-yl)-2-(4-phenylphenyl)acetamide
CID 31098228
N'-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide
CID 24703247
N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide
CID 79401252
N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide
CID 110463372
N-cyclopropyl-2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide
CID 77001320
4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373646
4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide
CID 163896272
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(2-methoxyethyl)acetamide
CID 77001315

Frequently Asked Questions

What is the IUPAC name of 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpiperidin-4-yl)acetamide (CID 77001782) is 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(NC(=O)Cc2ccc(C(N)=NO)cc2)CC1.
What is the InChIKey of 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is DYZGWUGXAPBANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-19-8-6-13(7-9-19)17-14(20)10-11-2-4-12(5-3-11)15(16)18-21/h2-5,13,21H,6-10H2,1H3,(H2,16,18)(H,17,20).
What are the key properties of 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpiperidin-4-yl)acetamide?
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 290.37 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 77001782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).