4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide

C30H36N4O — CID 174490910

IUPAC4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2N(CN)c2ccccc2)cc1
InChIInChI=1S/C30H36N4O/c1-3-33(4-2)30(35)25-16-14-23(15-17-25)29(24-18-20-32-21-19-24)27-12-8-9-13-28(27)34(22-31)26-10-6-5-7-11-26/h5-17,32H,3-4,18-22,31H2,1-2H3
InChIKeyGSNYHWNBCZNXMZ-UHFFFAOYSA-N
MW468.65 g/mol
LogP5.41
Rot. Bonds8

About 4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide

4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide (PubChem CID 174490910) has the molecular formula C30H36N4O and a molecular weight of 468.65 g/mol. Its IUPAC name is 4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
PubChem CID174490910
Molecular FormulaC30H36N4O
Molecular Weight468.65 g/mol
Exact Mass468.29
IUPAC Name4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2N(CN)c2ccccc2)cc1
InChIInChI=1S/C30H36N4O/c1-3-33(4-2)30(35)25-16-14-23(15-17-25)29(24-18-20-32-21-19-24)27-12-8-9-13-28(27)34(22-31)26-10-6-5-7-11-26/h5-17,32H,3-4,18-22,31H2,1-2H3
InChIKeyGSNYHWNBCZNXMZ-UHFFFAOYSA-N
XLogP5.41
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.65
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride
CID 76848958
N,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide
CID 142966960
N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide
CID 11293990
N,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide
CID 11431614
N,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide
CID 23435917
4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
CID 11487995
4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide
CID 23435896
N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide
CID 142966947
N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfonylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide
CID 11421066
CID 174412487
CID 174412487
N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide
CID 69341375
4-[(1-benzylpiperidin-4-ylidene)-bromomethyl]-N,N-diethylbenzamide;4-[bromo(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide;dichloromethane
CID 159372011

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide (CID 174490910) is 4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2N(CN)c2ccccc2)cc1.
What is the InChIKey of 4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The InChIKey is GSNYHWNBCZNXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O/c1-3-33(4-2)30(35)25-16-14-23(15-17-25)29(24-18-20-32-21-19-24)27-12-8-9-13-28(27)34(22-31)26-10-6-5-7-11-26/h5-17,32H,3-4,18-22,31H2,1-2H3.
What are the key properties of 4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide has a molecular weight of 468.65 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide is sourced from PubChem (CID 174490910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).