4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide

C17H25N3O — CID 870970

IUPAC4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
SMILESCN1CCC(=NNC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H25N3O/c1-17(2,3)14-7-5-13(6-8-14)16(21)19-18-15-9-11-20(4)12-10-15/h5-8H,9-12H2,1-4H3,(H,19,21)
InChIKeyMWTKOJLECIHUJR-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.80
Rot. Bonds2

About 4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide

4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide (PubChem CID 870970) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
PubChem CID870970
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
SMILESCN1CCC(=NNC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H25N3O/c1-17(2,3)14-7-5-13(6-8-14)16(21)19-18-15-9-11-20(4)12-10-15/h5-8H,9-12H2,1-4H3,(H,19,21)
InChIKeyMWTKOJLECIHUJR-UHFFFAOYSA-N
XLogP2.80
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-[benzyl(methylsulfonyl)amino]-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
CID 2865943
N-(2-adamantylideneamino)-4-tert-butylbenzamide
CID 4251492
4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
CID 126134361
N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 5193391
4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 4924296
4-phenyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 5199563
5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
CID 840820
N-(cyclooctylideneamino)-4-hydroxybenzamide
CID 4218181
4-tert-butyl-N-[(Z)-(1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]benzamide
CID 6024026
N-[(4-tert-butylcyclohexylidene)amino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9466003
3-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-ylidene)amino]-1H-pyrazole-5-carboxamide
CID 4150067
4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964230

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide (CID 870970) is 4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide is CN1CCC(=NNC(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide?
The InChIKey is MWTKOJLECIHUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(2,3)14-7-5-13(6-8-14)16(21)19-18-15-9-11-20(4)12-10-15/h5-8H,9-12H2,1-4H3,(H,19,21).
What are the key properties of 4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide?
4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide has a molecular weight of 287.41 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide is sourced from PubChem (CID 870970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).