4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide

C22H30N4O — CID 109414401

IUPAC4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\NCCCc1c(C)noc1C)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C22H30N4O/c1-17-21(18(2)27-25-17)10-7-13-24-22(23-3)26-14-11-20(12-15-26)16-19-8-5-4-6-9-19/h4-6,8-9,16H,7,10-15H2,1-3H3,(H,23,24)
InChIKeyBYROPBOZODQZTA-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.98
Rot. Bonds5

About 4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide

4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide (PubChem CID 109414401) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide
PubChem CID109414401
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\NCCCc1c(C)noc1C)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C22H30N4O/c1-17-21(18(2)27-25-17)10-7-13-24-22(23-3)26-14-11-20(12-15-26)16-19-8-5-4-6-9-19/h4-6,8-9,16H,7,10-15H2,1-3H3,(H,23,24)
InChIKeyBYROPBOZODQZTA-UHFFFAOYSA-N
XLogP3.98
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109415045
4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415037
N-[2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]benzamide
CID 109414731
4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414255
4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide
CID 109415458
4-benzylidene-N-(2-ethoxyethyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415315
4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414843
4-acetyl-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 119157757
4-benzylidene-N-[2-(6-chloro-3-pyridinyl)ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109414663
4-benzylidene-N'-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109414678
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 119157988
4-benzylidene-N-(furan-2-ylmethyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109414514

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide (CID 109414401) is 4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide is C/N=C(\NCCCc1c(C)noc1C)N1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide?
The InChIKey is BYROPBOZODQZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-17-21(18(2)27-25-17)10-7-13-24-22(23-3)26-14-11-20(12-15-26)16-19-8-5-4-6-9-19/h4-6,8-9,16H,7,10-15H2,1-3H3,(H,23,24).
What are the key properties of 4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide?
4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide has a molecular weight of 366.51 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 109414401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).