4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide

C15H22N4O — CID 111048452

IUPAC4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C/N=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C15H22N4O/c1-17-14(20)13-7-5-12(6-8-13)11-18-15(16)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H2,16,18)(H,17,20)
InChIKeyIRNRRBPMGOFLTI-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.35
Rot. Bonds3

About 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide

4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide (PubChem CID 111048452) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide
PubChem CID111048452
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C/N=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C15H22N4O/c1-17-14(20)13-7-5-12(6-8-13)11-18-15(16)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H2,16,18)(H,17,20)
InChIKeyIRNRRBPMGOFLTI-UHFFFAOYSA-N
XLogP1.35
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide (CID 111048452) is 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(C/N=C(\N)N2CCCCC2)cc1.
What is the InChIKey of 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide?
The InChIKey is IRNRRBPMGOFLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-17-14(20)13-7-5-12(6-8-13)11-18-15(16)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H2,16,18)(H,17,20).
What are the key properties of 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide?
4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide has a molecular weight of 274.37 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 111048452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).