N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide

C26H27N3O2 — CID 8518184

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C26H27N3O2/c30-26(23-13-11-22(12-14-23)20-31-25-9-5-2-6-10-25)28-27-24-15-17-29(18-16-24)19-21-7-3-1-4-8-21/h1-14H,15-20H2,(H,28,30)
InChIKeyYSJUSDBBYJNGFZ-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.65
Rot. Bonds7

About N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide

N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide (PubChem CID 8518184) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide
PubChem CID8518184
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C26H27N3O2/c30-26(23-13-11-22(12-14-23)20-31-25-9-5-2-6-10-25)28-27-24-15-17-29(18-16-24)19-21-7-3-1-4-8-21/h1-14H,15-20H2,(H,28,30)
InChIKeyYSJUSDBBYJNGFZ-UHFFFAOYSA-N
XLogP4.65
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.65
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-[(1-benzylpiperidin-4-ylidene)amino]benzamide
CID 746769
N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide
CID 4225123
N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518183
N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide
CID 4244582
4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide
CID 162787095
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide
CID 3516684
N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide
CID 4198414
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide
CID 167799834
N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide
CID 762046
N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126347887
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide
CID 8518251

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide (CID 8518184) is N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide is O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide?
The InChIKey is YSJUSDBBYJNGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-26(23-13-11-22(12-14-23)20-31-25-9-5-2-6-10-25)28-27-24-15-17-29(18-16-24)19-21-7-3-1-4-8-21/h1-14H,15-20H2,(H,28,30).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide?
N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide has a molecular weight of 413.52 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 8518184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).