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

C25H26N4 — CID 54284526

IUPACN-[anilino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide
SMILESc1ccc(/N=C(/N=C(Nc2ccccc2)c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C25H26N4/c1-5-13-21(14-6-1)24(26-22-15-7-2-8-16-22)28-25(29-19-11-4-12-20-29)27-23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2,(H,26,27,28)
InChIKeyRTDXSTHAGBPHIV-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.72
Rot. Bonds3

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

N-[anilino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide (PubChem CID 54284526) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[anilino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[anilino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide
PubChem CID54284526
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC NameN-[anilino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide
SMILESc1ccc(/N=C(/N=C(Nc2ccccc2)c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C25H26N4/c1-5-13-21(14-6-1)24(26-22-15-7-2-8-16-22)28-25(29-19-11-4-12-20-29)27-23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2,(H,26,27,28)
InChIKeyRTDXSTHAGBPHIV-UHFFFAOYSA-N
XLogP5.72
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.72
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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Related Compounds

N-[(4-methoxyanilino)-phenylmethylidene]-N'-phenylazepane-1-carboximidamide
CID 54036187
(NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide
CID 22388670
(NZ)-N-[(2,6-difluorophenyl)-(4-fluoroanilino)methylidene]-N'-phenylazepane-1-carboximidamide
CID 87976890
(NZ)-N-[amino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide
CID 23459662
N'-(4-methylphenyl)-N-phenylpiperidine-1-carboximidamide
CID 138974908
N-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-4-oxo-N'-phenylpiperidine-1-carboximidamide
CID 54201843
1-[anilino(phenyl)methylidene]-3-phenylthiourea
CID 2853502
1-(C,N-diphenylcarbonimidoyl)-3-phenylurea
CID 135454305
N-amino-N'-phenylazocane-1-carboximidamide
CID 116513037
(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide
CID 23459648
N-[(2-methylanilino)-phenylmethylidene]piperidine-1-carbothioamide
CID 3166053
(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride
CID 23459647

Frequently Asked Questions

What is the IUPAC name of N-[anilino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide?
The IUPAC name of N-[anilino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide (CID 54284526) is N-[anilino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[anilino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide?
The canonical SMILES for N-[anilino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide is c1ccc(/N=C(/N=C(Nc2ccccc2)c2ccccc2)N2CCCCC2)cc1.
What is the InChIKey of N-[anilino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide?
The InChIKey is RTDXSTHAGBPHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-5-13-21(14-6-1)24(26-22-15-7-2-8-16-22)28-25(29-19-11-4-12-20-29)27-23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2,(H,26,27,28).
What are the key properties of N-[anilino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide?
N-[anilino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide has a molecular weight of 382.51 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[anilino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide is sourced from PubChem (CID 54284526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).