N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide

C22H26N4O4 — CID 10341505

IUPACN-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide
SMILESCOc1ccc(/C=N/N2CCCCC2C(=O)Nc2ccc(C(N)=O)cc2)cc1OC
InChIInChI=1S/C22H26N4O4/c1-29-19-11-6-15(13-20(19)30-2)14-24-26-12-4-3-5-18(26)22(28)25-17-9-7-16(8-10-17)21(23)27/h6-11,13-14,18H,3-5,12H2,1-2H3,(H2,23,27)(H,25,28)/b24-14+
InChIKeyUVDMLEVHCRJLPP-ZVHZXABRSA-N
MW410.47 g/mol
LogP2.63
Rot. Bonds7

About N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide

N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide (PubChem CID 10341505) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide
PubChem CID10341505
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide
SMILESCOc1ccc(/C=N/N2CCCCC2C(=O)Nc2ccc(C(N)=O)cc2)cc1OC
InChIInChI=1S/C22H26N4O4/c1-29-19-11-6-15(13-20(19)30-2)14-24-26-12-4-3-5-18(26)22(28)25-17-9-7-16(8-10-17)21(23)27/h6-11,13-14,18H,3-5,12H2,1-2H3,(H2,23,27)(H,25,28)/b24-14+
InChIKeyUVDMLEVHCRJLPP-ZVHZXABRSA-N
XLogP2.63
TPSA106.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.63
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

N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyrrolidine-2-carboxamide
CID 110194171
N-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide
CID 110194218
1-[(E)-(4-acetamidophenyl)methylideneamino]-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 110194215
(2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide
CID 40586803
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
4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 1013453
N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(E)-1H-pyrrol-2-ylmethylideneamino]piperidine-2-carboxamide
CID 135517407
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
[4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate
CID 5419986
N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 110194272
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809500

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide (CID 10341505) is N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide is COc1ccc(/C=N/N2CCCCC2C(=O)Nc2ccc(C(N)=O)cc2)cc1OC.
What is the InChIKey of N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide?
The InChIKey is UVDMLEVHCRJLPP-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-29-19-11-6-15(13-20(19)30-2)14-24-26-12-4-3-5-18(26)22(28)25-17-9-7-16(8-10-17)21(23)27/h6-11,13-14,18H,3-5,12H2,1-2H3,(H2,23,27)(H,25,28)/b24-14+.
What are the key properties of N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide?
N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide is sourced from PubChem (CID 10341505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).