N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide

C30H40N6O2 — CID 4198414

IUPACN,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide
SMILESO=C(CCCCC(=O)NN=C1CCN(Cc2ccccc2)CC1)NN=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H40N6O2/c37-29(33-31-27-15-19-35(20-16-27)23-25-9-3-1-4-10-25)13-7-8-14-30(38)34-32-28-17-21-36(22-18-28)24-26-11-5-2-6-12-26/h1-6,9-12H,7-8,13-24H2,(H,33,37)(H,34,38)
InChIKeyCXSYRVLJGAVSMD-UHFFFAOYSA-N
MW516.69 g/mol
LogP4.08
Rot. Bonds11

About N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide

N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide (PubChem CID 4198414) has the molecular formula C30H40N6O2 and a molecular weight of 516.69 g/mol. Its IUPAC name is N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide
PubChem CID4198414
Molecular FormulaC30H40N6O2
Molecular Weight516.69 g/mol
Exact Mass516.32
IUPAC NameN,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide
SMILESO=C(CCCCC(=O)NN=C1CCN(Cc2ccccc2)CC1)NN=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H40N6O2/c37-29(33-31-27-15-19-35(20-16-27)23-25-9-3-1-4-10-25)13-7-8-14-30(38)34-32-28-17-21-36(22-18-28)24-26-11-5-2-6-12-26/h1-6,9-12H,7-8,13-24H2,(H,33,37)(H,34,38)
InChIKeyCXSYRVLJGAVSMD-UHFFFAOYSA-N
XLogP4.08
TPSA89.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.69
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-benzylpiperidin-4-ylidene)amino]benzamide
CID 746769
(2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide
CID 126354048
N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide
CID 3516684
N-[(1-methylpiperidin-4-ylidene)amino]-3-phenylpropanamide
CID 5173273
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide
CID 1219274
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide
CID 167799834
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 126336951
N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518184
N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide
CID 8518796
N-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide
CID 8982682
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126340370
N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide
CID 4244582

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide?
The IUPAC name of N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide (CID 4198414) is N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide.
What is the SMILES notation for N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide?
The canonical SMILES for N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide is O=C(CCCCC(=O)NN=C1CCN(Cc2ccccc2)CC1)NN=C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide?
The InChIKey is CXSYRVLJGAVSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O2/c37-29(33-31-27-15-19-35(20-16-27)23-25-9-3-1-4-10-25)13-7-8-14-30(38)34-32-28-17-21-36(22-18-28)24-26-11-5-2-6-12-26/h1-6,9-12H,7-8,13-24H2,(H,33,37)(H,34,38).
What are the key properties of N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide?
N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide has a molecular weight of 516.69 g/mol, XLogP of 4.08, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide is sourced from PubChem (CID 4198414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).