ethyl 4-methyl-N-(3-methylbenzoyl)piperidine-1-carboximidate

C17H24N2O2 — CID 5099292

IUPACethyl 4-methyl-N-(3-methylbenzoyl)piperidine-1-carboximidate
SMILESCCO/C(=N\C(=O)c1cccc(C)c1)N1CCC(C)CC1
InChIInChI=1S/C17H24N2O2/c1-4-21-17(19-10-8-13(2)9-11-19)18-16(20)15-7-5-6-14(3)12-15/h5-7,12-13H,4,8-11H2,1-3H3/b18-17-
InChIKeyYEZAUBCGPNWMMP-ZCXUNETKSA-N
MW288.39 g/mol
LogP3.26
Rot. Bonds2

About ethyl 4-methyl-N-(3-methylbenzoyl)piperidine-1-carboximidate

ethyl 4-methyl-N-(3-methylbenzoyl)piperidine-1-carboximidate (PubChem CID 5099292) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl 4-methyl-N-(3-methylbenzoyl)piperidine-1-carboximidate.

Molecular Properties

Compound Nameethyl 4-methyl-N-(3-methylbenzoyl)piperidine-1-carboximidate
PubChem CID5099292
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nameethyl 4-methyl-N-(3-methylbenzoyl)piperidine-1-carboximidate
SMILESCCO/C(=N\C(=O)c1cccc(C)c1)N1CCC(C)CC1
InChIInChI=1S/C17H24N2O2/c1-4-21-17(19-10-8-13(2)9-11-19)18-16(20)15-7-5-6-14(3)12-15/h5-7,12-13H,4,8-11H2,1-3H3/b18-17-
InChIKeyYEZAUBCGPNWMMP-ZCXUNETKSA-N
XLogP3.26
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-N-(3-methylbenzoyl)piperidine-1-carboximidate?
The IUPAC name of ethyl 4-methyl-N-(3-methylbenzoyl)piperidine-1-carboximidate (CID 5099292) is ethyl 4-methyl-N-(3-methylbenzoyl)piperidine-1-carboximidate.
What is the SMILES notation for ethyl 4-methyl-N-(3-methylbenzoyl)piperidine-1-carboximidate?
The canonical SMILES for ethyl 4-methyl-N-(3-methylbenzoyl)piperidine-1-carboximidate is CCO/C(=N\C(=O)c1cccc(C)c1)N1CCC(C)CC1.
What is the InChIKey of ethyl 4-methyl-N-(3-methylbenzoyl)piperidine-1-carboximidate?
The InChIKey is YEZAUBCGPNWMMP-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-21-17(19-10-8-13(2)9-11-19)18-16(20)15-7-5-6-14(3)12-15/h5-7,12-13H,4,8-11H2,1-3H3/b18-17-.
What are the key properties of ethyl 4-methyl-N-(3-methylbenzoyl)piperidine-1-carboximidate?
ethyl 4-methyl-N-(3-methylbenzoyl)piperidine-1-carboximidate has a molecular weight of 288.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-N-(3-methylbenzoyl)piperidine-1-carboximidate is sourced from PubChem (CID 5099292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).