4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide

C19H29N3O — CID 868129

IUPAC4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
SMILESCC(C)N1CCC(=NNC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H29N3O/c1-14(2)22-12-10-17(11-13-22)20-21-18(23)15-6-8-16(9-7-15)19(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,21,23)
InChIKeyBJMMCBWLXCYYDA-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.57
Rot. Bonds3

About 4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide

4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide (PubChem CID 868129) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
PubChem CID868129
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
SMILESCC(C)N1CCC(=NNC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H29N3O/c1-14(2)22-12-10-17(11-13-22)20-21-18(23)15-6-8-16(9-7-15)19(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,21,23)
InChIKeyBJMMCBWLXCYYDA-UHFFFAOYSA-N
XLogP3.57
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.57
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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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide (CID 868129) is 4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide is CC(C)N1CCC(=NNC(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
The InChIKey is BJMMCBWLXCYYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-14(2)22-12-10-17(11-13-22)20-21-18(23)15-6-8-16(9-7-15)19(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,21,23).
What are the key properties of 4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide has a molecular weight of 315.46 g/mol, XLogP of 3.57, 3 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-propan-2-ylpiperidin-4-ylidene)amino]benzamide is sourced from PubChem (CID 868129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).