(NZ)-N-[anilino(phenyl)methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide

C26H28N4 — CID 15462185

IUPAC(NZ)-N-[anilino(phenyl)methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide
SMILESCC1CCCCN1C(/N=C(\Nc1ccccc1)c1ccccc1)=N/c1ccccc1
InChIInChI=1S/C26H28N4/c1-21-13-11-12-20-30(21)26(28-24-18-9-4-10-19-24)29-25(22-14-5-2-6-15-22)27-23-16-7-3-8-17-23/h2-10,14-19,21H,11-13,20H2,1H3,(H,27,28,29)
InChIKeyVVBPNWHCIJGCMP-UHFFFAOYSA-N
MW396.54 g/mol
LogP6.11
Rot. Bonds3

About (NZ)-N-[anilino(phenyl)methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide

(NZ)-N-[anilino(phenyl)methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide (PubChem CID 15462185) has the molecular formula C26H28N4 and a molecular weight of 396.54 g/mol. Its IUPAC name is (NZ)-N-[anilino(phenyl)methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name(NZ)-N-[anilino(phenyl)methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide
PubChem CID15462185
Molecular FormulaC26H28N4
Molecular Weight396.54 g/mol
Exact Mass396.23
IUPAC Name(NZ)-N-[anilino(phenyl)methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide
SMILESCC1CCCCN1C(/N=C(\Nc1ccccc1)c1ccccc1)=N/c1ccccc1
InChIInChI=1S/C26H28N4/c1-21-13-11-12-20-30(21)26(28-24-18-9-4-10-19-24)29-25(22-14-5-2-6-15-22)27-23-16-7-3-8-17-23/h2-10,14-19,21H,11-13,20H2,1H3,(H,27,28,29)
InChIKeyVVBPNWHCIJGCMP-UHFFFAOYSA-N
XLogP6.11
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (NZ)-N-[anilino(phenyl)methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide?
The IUPAC name of (NZ)-N-[anilino(phenyl)methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide (CID 15462185) is (NZ)-N-[anilino(phenyl)methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide.
What is the SMILES notation for (NZ)-N-[anilino(phenyl)methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide?
The canonical SMILES for (NZ)-N-[anilino(phenyl)methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide is CC1CCCCN1C(/N=C(\Nc1ccccc1)c1ccccc1)=N/c1ccccc1.
What is the InChIKey of (NZ)-N-[anilino(phenyl)methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide?
The InChIKey is VVBPNWHCIJGCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4/c1-21-13-11-12-20-30(21)26(28-24-18-9-4-10-19-24)29-25(22-14-5-2-6-15-22)27-23-16-7-3-8-17-23/h2-10,14-19,21H,11-13,20H2,1H3,(H,27,28,29).
What are the key properties of (NZ)-N-[anilino(phenyl)methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide?
(NZ)-N-[anilino(phenyl)methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide has a molecular weight of 396.54 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[anilino(phenyl)methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide is sourced from PubChem (CID 15462185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).