N-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide

C25H32N4O4 — CID 110194218

IUPACN-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide
SMILESCOc1ccc(/C=N/N2CCCCC2C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC(C)C
InChIInChI=1S/C25H32N4O4/c1-17(2)33-24-15-19(8-13-23(24)32-4)16-26-29-14-6-5-7-22(29)25(31)28-21-11-9-20(10-12-21)27-18(3)30/h8-13,15-17,22H,5-7,14H2,1-4H3,(H,27,30)(H,28,31)/b26-16+
InChIKeyLATJLLKIRGVBLL-WGOQTCKBSA-N
MW452.56 g/mol
LogP4.27
Rot. Bonds8

About N-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide

N-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide (PubChem CID 110194218) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide
PubChem CID110194218
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide
SMILESCOc1ccc(/C=N/N2CCCCC2C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC(C)C
InChIInChI=1S/C25H32N4O4/c1-17(2)33-24-15-19(8-13-23(24)32-4)16-26-29-14-6-5-7-22(29)25(31)28-21-11-9-20(10-12-21)27-18(3)30/h8-13,15-17,22H,5-7,14H2,1-4H3,(H,27,30)(H,28,31)/b26-16+
InChIKeyLATJLLKIRGVBLL-WGOQTCKBSA-N
XLogP4.27
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-(4-acetamidophenyl)methylideneamino]-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 110194215
N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide
CID 10341505
(2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide
CID 40586803
N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyrrolidine-2-carboxamide
CID 110194171
N-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide
CID 110194180
1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 10027240
N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(E)-1H-pyrrol-2-ylmethylideneamino]piperidine-2-carboxamide
CID 135517407
N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 110194272
N-(4-acetamidophenyl)-1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidine-2-carboxamide
CID 110173562
N-(4-acetamidophenyl)-1-hydroxypiperidine-2-carboxamide
CID 110194301
N-(4-acetamidophenyl)-1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidine-2-carboxamide;hydrate
CID 110194273
methyl 4-[[2-[[4-methoxy-3-(2-methylpropoxy)phenyl]carbamoyloxy]piperidin-1-yl]iminomethyl]benzoate
CID 91465128

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide (CID 110194218) is N-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide is COc1ccc(/C=N/N2CCCCC2C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC(C)C.
What is the InChIKey of N-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide?
The InChIKey is LATJLLKIRGVBLL-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-17(2)33-24-15-19(8-13-23(24)32-4)16-26-29-14-6-5-7-22(29)25(31)28-21-11-9-20(10-12-21)27-18(3)30/h8-13,15-17,22H,5-7,14H2,1-4H3,(H,27,30)(H,28,31)/b26-16+.
What are the key properties of N-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide?
N-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide is sourced from PubChem (CID 110194218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).