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

C15H21N3O — CID 5193391

IUPACN-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
SMILESCC(C)N1CCC(=NNC(=O)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O/c1-12(2)18-10-8-14(9-11-18)16-17-15(19)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,17,19)
InChIKeyBDESAFAFXWXOHG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.28
Rot. Bonds3

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

N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide (PubChem CID 5193391) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
PubChem CID5193391
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
SMILESCC(C)N1CCC(=NNC(=O)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O/c1-12(2)18-10-8-14(9-11-18)16-17-15(19)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,17,19)
InChIKeyBDESAFAFXWXOHG-UHFFFAOYSA-N
XLogP2.28
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.28
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-phenyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 5199563
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
2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 4924260
N-(cyclododecylideneamino)benzamide
CID 4147051
N-[(1-benzylpiperidin-4-ylidene)amino]benzamide
CID 746769
N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide
CID 7675163
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]benzamide
CID 9410916
4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
CID 870970
2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide
CID 4590564
N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide
CID 3293640
N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide
CID 4244582

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
The IUPAC name of N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide (CID 5193391) is N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide.
What is the SMILES notation for N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
The canonical SMILES for N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide is CC(C)N1CCC(=NNC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
The InChIKey is BDESAFAFXWXOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(2)18-10-8-14(9-11-18)16-17-15(19)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,17,19).
What are the key properties of N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide has a molecular weight of 259.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide is sourced from PubChem (CID 5193391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).