1-methyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]piperidine-4-carboxamide

C26H28N4O — CID 72709648

IUPAC1-methyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)CC1
InChIInChI=1S/C26H28N4O/c1-29-18-16-22(17-19-29)26(31)28-27-20-21-12-14-25(15-13-21)30(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,20,22H,16-19H2,1H3,(H,28,31)/b27-20+
InChIKeyLDFMSQYOKTXGDR-NHFJDJAPSA-N
MW412.54 g/mol
LogP4.95
Rot. Bonds6

About 1-methyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]piperidine-4-carboxamide

1-methyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]piperidine-4-carboxamide (PubChem CID 72709648) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-methyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]piperidine-4-carboxamide
PubChem CID72709648
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name1-methyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)CC1
InChIInChI=1S/C26H28N4O/c1-29-18-16-22(17-19-29)26(31)28-27-20-21-12-14-25(15-13-21)30(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,20,22H,16-19H2,1H3,(H,28,31)/b27-20+
InChIKeyLDFMSQYOKTXGDR-NHFJDJAPSA-N
XLogP4.95
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide
CID 171984113
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide
CID 58350172
ethyl N-[[4-(N-phenylanilino)phenyl]methylideneamino]carbamate
CID 4538267
1-(2-chlorobenzoyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126013246
N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5394876
6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid
CID 44621714
4-ethenyl-N,N-diphenylaniline;4-(methyliminomethyl)-N,N-diphenylaniline;1-(1-methylpiperidin-4-yl)-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone;1-[[4-(N-phenylanilino)phenyl]methylideneamino]propan-2-one;1-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone
CID 160876060
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 170856208
1-(3,4-dimethoxybenzoyl)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]piperidine-4-carboxamide
CID 126010765
N-[[4-(diethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 3759545
2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide
CID 5223464

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]piperidine-4-carboxamide (CID 72709648) is 1-methyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]piperidine-4-carboxamide is CN1CCC(C(=O)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)CC1.
What is the InChIKey of 1-methyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]piperidine-4-carboxamide?
The InChIKey is LDFMSQYOKTXGDR-NHFJDJAPSA-N. The full InChI is InChI=1S/C26H28N4O/c1-29-18-16-22(17-19-29)26(31)28-27-20-21-12-14-25(15-13-21)30(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,20,22H,16-19H2,1H3,(H,28,31)/b27-20+.
What are the key properties of 1-methyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]piperidine-4-carboxamide?
1-methyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]piperidine-4-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 72709648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).