N-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide

C25H32N4O4 — CID 110194180

IUPACN-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide
SMILESCOc1ccc(/C=N/N2CCCCC2C(=O)Nc2ccccc2C(N)=O)cc1OCC(C)C
InChIInChI=1S/C25H32N4O4/c1-17(2)16-33-23-14-18(11-12-22(23)32-3)15-27-29-13-7-6-10-21(29)25(31)28-20-9-5-4-8-19(20)24(26)30/h4-5,8-9,11-12,14-15,17,21H,6-7,10,13,16H2,1-3H3,(H2,26,30)(H,28,31)/b27-15+
InChIKeyLRBQAONCXHEPQW-JFLMPSFJSA-N
MW452.56 g/mol
LogP3.66
Rot. Bonds9

About N-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide

N-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide (PubChem CID 110194180) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide
PubChem CID110194180
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide
SMILESCOc1ccc(/C=N/N2CCCCC2C(=O)Nc2ccccc2C(N)=O)cc1OCC(C)C
InChIInChI=1S/C25H32N4O4/c1-17(2)16-33-23-14-18(11-12-22(23)32-3)15-27-29-13-7-6-10-21(29)25(31)28-20-9-5-4-8-19(20)24(26)30/h4-5,8-9,11-12,14-15,17,21H,6-7,10,13,16H2,1-3H3,(H2,26,30)(H,28,31)/b27-15+
InChIKeyLRBQAONCXHEPQW-JFLMPSFJSA-N
XLogP3.66
TPSA106.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.66
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-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 10027240
(2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide
CID 40586803
N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(E)-1H-pyrrol-2-ylmethylideneamino]piperidine-2-carboxamide
CID 135517407
N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide
CID 10341505
N-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide
CID 110194218
N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyrrolidine-2-carboxamide
CID 110194171
(2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 767221
methyl 4-[[2-[[4-methoxy-3-(2-methylpropoxy)phenyl]carbamoyloxy]piperidin-1-yl]iminomethyl]benzoate
CID 91465128
[1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate
CID 91495196
1-[(E)-(4-acetamidophenyl)methylideneamino]-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 110194215
(2S)-1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 1119532
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 110194147

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide (CID 110194180) is N-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide is COc1ccc(/C=N/N2CCCCC2C(=O)Nc2ccccc2C(N)=O)cc1OCC(C)C.
What is the InChIKey of N-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide?
The InChIKey is LRBQAONCXHEPQW-JFLMPSFJSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-17(2)16-33-23-14-18(11-12-22(23)32-3)15-27-29-13-7-6-10-21(29)25(31)28-20-9-5-4-8-19(20)24(26)30/h4-5,8-9,11-12,14-15,17,21H,6-7,10,13,16H2,1-3H3,(H2,26,30)(H,28,31)/b27-15+.
What are the key properties of N-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide?
N-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide is sourced from PubChem (CID 110194180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).