N-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide

C27H32N8O — CID 155545896

IUPACN-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
SMILESO=C(N/N=C/c1ccccc1)c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C27H32N8O/c36-24(33-28-20-21-10-4-1-5-11-21)22-12-14-23(15-13-22)29-25-30-26(34-16-6-2-7-17-34)32-27(31-25)35-18-8-3-9-19-35/h1,4-5,10-15,20H,2-3,6-9,16-19H2,(H,33,36)(H,29,30,31,32)/b28-20+
InChIKeyYKVIBWUHKJCFMC-VFCFBJKWSA-N
MW484.61 g/mol
LogP4.36
Rot. Bonds7

About N-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide

N-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide (PubChem CID 155545896) has the molecular formula C27H32N8O and a molecular weight of 484.61 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
PubChem CID155545896
Molecular FormulaC27H32N8O
Molecular Weight484.61 g/mol
Exact Mass484.27
IUPAC NameN-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
SMILESO=C(N/N=C/c1ccccc1)c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C27H32N8O/c36-24(33-28-20-21-10-4-1-5-11-21)22-12-14-23(15-13-22)29-25-30-26(34-16-6-2-7-17-34)32-27(31-25)35-18-8-3-9-19-35/h1,4-5,10-15,20H,2-3,6-9,16-19H2,(H,33,36)(H,29,30,31,32)/b28-20+
InChIKeyYKVIBWUHKJCFMC-VFCFBJKWSA-N
XLogP4.36
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide with MolForge

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Related Compounds

2-N-[(4-chlorophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 3135105
[4-[(E)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] benzoate
CID 5340992
azane;[(E)-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]methylideneamino]thiourea;molecular hydrogen;hydrochloride
CID 172940754
4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
CID 5071726
2-[3-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 6024761
N'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide
CID 46854707
4-N-phenyl-2-N-[(E)-pyridin-3-ylmethylideneamino]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 56688382
2-[3-[[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4022763
N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 5180598
N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
CID 7192885
N-[4-[(E)-N-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6160374
2-N-[(3-iodophenyl)methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 85026567

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
The IUPAC name of N-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide (CID 155545896) is N-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
The canonical SMILES for N-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide is O=C(N/N=C/c1ccccc1)c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
The InChIKey is YKVIBWUHKJCFMC-VFCFBJKWSA-N. The full InChI is InChI=1S/C27H32N8O/c36-24(33-28-20-21-10-4-1-5-11-21)22-12-14-23(15-13-22)29-25-30-26(34-16-6-2-7-17-34)32-27(31-25)35-18-8-3-9-19-35/h1,4-5,10-15,20H,2-3,6-9,16-19H2,(H,33,36)(H,29,30,31,32)/b28-20+.
What are the key properties of N-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
N-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide has a molecular weight of 484.61 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide is sourced from PubChem (CID 155545896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).