N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide

C26H35N7O2 — CID 171984113

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CN2CCC(C(=O)N/N=C/c3ccc(N(C)C)cc3)CC2)cc1
InChIInChI=1S/C26H35N7O2/c1-31(2)23-9-5-20(6-10-23)17-27-29-25(34)19-33-15-13-22(14-16-33)26(35)30-28-18-21-7-11-24(12-8-21)32(3)4/h5-12,17-18,22H,13-16,19H2,1-4H3,(H,29,34)(H,30,35)/b27-17+,28-18+
InChIKeyZIDHLUBGEUOWGJ-XUIWWLCJSA-N
MW477.61 g/mol
LogP2.13
Rot. Bonds9

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 171984113) has the molecular formula C26H35N7O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID171984113
Molecular FormulaC26H35N7O2
Molecular Weight477.61 g/mol
Exact Mass477.29
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CN2CCC(C(=O)N/N=C/c3ccc(N(C)C)cc3)CC2)cc1
InChIInChI=1S/C26H35N7O2/c1-31(2)23-9-5-20(6-10-23)17-27-29-25(34)19-33-15-13-22(14-16-33)26(35)30-28-18-21-7-11-24(12-8-21)32(3)4/h5-12,17-18,22H,13-16,19H2,1-4H3,(H,29,34)(H,30,35)/b27-17+,28-18+
InChIKeyZIDHLUBGEUOWGJ-XUIWWLCJSA-N
XLogP2.13
TPSA92.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 6885952
1-methyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]piperidine-4-carboxamide
CID 72709648
N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
CID 682337
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
1-(3,4-dimethoxybenzoyl)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]piperidine-4-carboxamide
CID 126010765
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 170856208
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide
CID 5407176
2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 41092525
2-(azepan-1-yl)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 786204
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide (CID 171984113) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide is CN(C)c1ccc(/C=N/NC(=O)CN2CCC(C(=O)N/N=C/c3ccc(N(C)C)cc3)CC2)cc1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is ZIDHLUBGEUOWGJ-XUIWWLCJSA-N. The full InChI is InChI=1S/C26H35N7O2/c1-31(2)23-9-5-20(6-10-23)17-27-29-25(34)19-33-15-13-22(14-16-33)26(35)30-28-18-21-7-11-24(12-8-21)32(3)4/h5-12,17-18,22H,13-16,19H2,1-4H3,(H,29,34)(H,30,35)/b27-17+,28-18+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 171984113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).