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

C21H25N3O — CID 5199563

IUPAC4-phenyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
SMILESCC(C)N1CCC(=NNC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H25N3O/c1-16(2)24-14-12-20(13-15-24)22-23-21(25)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,25)
InChIKeyYFZCRXSLUYAXOH-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.94
Rot. Bonds4

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

4-phenyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide (PubChem CID 5199563) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-phenyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
PubChem CID5199563
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name4-phenyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
SMILESCC(C)N1CCC(=NNC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H25N3O/c1-16(2)24-14-12-20(13-15-24)22-23-21(25)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,25)
InChIKeyYFZCRXSLUYAXOH-UHFFFAOYSA-N
XLogP3.94
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.94
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

N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 5193391
4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 5165870
4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 4924296
N-[(4-methylcyclohexylidene)amino]-4-phenylbenzamide
CID 4137154
2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 4924260
2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide
CID 4590564
N-(cyclododecylideneamino)benzamide
CID 4147051
N-[(1-benzylpiperidin-4-ylidene)amino]benzamide
CID 746769
4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
CID 870970
4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide
CID 4994656

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
The IUPAC name of 4-phenyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide (CID 5199563) is 4-phenyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide.
What is the SMILES notation for 4-phenyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
The canonical SMILES for 4-phenyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide is CC(C)N1CCC(=NNC(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 4-phenyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
The InChIKey is YFZCRXSLUYAXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-16(2)24-14-12-20(13-15-24)22-23-21(25)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,25).
What are the key properties of 4-phenyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
4-phenyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide has a molecular weight of 335.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide is sourced from PubChem (CID 5199563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).