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

C28H33N3O3 — CID 10027240

IUPAC1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]-N-naphthalen-1-ylpiperidine-2-carboxamide
SMILESCOc1ccc(/C=N/N2CCCCC2C(=O)Nc2cccc3ccccc23)cc1OCC(C)C
InChIInChI=1S/C28H33N3O3/c1-20(2)19-34-27-17-21(14-15-26(27)33-3)18-29-31-16-7-6-13-25(31)28(32)30-24-12-8-10-22-9-4-5-11-23(22)24/h4-5,8-12,14-15,17-18,20,25H,6-7,13,16,19H2,1-3H3,(H,30,32)/b29-18+
InChIKeyUOMBKCUQGHQWBK-RDRPBHBLSA-N
MW459.59 g/mol
LogP5.71
Rot. Bonds8

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

1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]-N-naphthalen-1-ylpiperidine-2-carboxamide (PubChem CID 10027240) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is 1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]-N-naphthalen-1-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]-N-naphthalen-1-ylpiperidine-2-carboxamide
PubChem CID10027240
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC Name1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]-N-naphthalen-1-ylpiperidine-2-carboxamide
SMILESCOc1ccc(/C=N/N2CCCCC2C(=O)Nc2cccc3ccccc23)cc1OCC(C)C
InChIInChI=1S/C28H33N3O3/c1-20(2)19-34-27-17-21(14-15-26(27)33-3)18-29-31-16-7-6-13-25(31)28(32)30-24-12-8-10-22-9-4-5-11-23(22)24/h4-5,8-12,14-15,17-18,20,25H,6-7,13,16,19H2,1-3H3,(H,30,32)/b29-18+
InChIKeyUOMBKCUQGHQWBK-RDRPBHBLSA-N
XLogP5.71
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide
CID 110194180
(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-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide
CID 110194218
N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide
CID 10341505
methyl 4-[[2-[[4-methoxy-3-(2-methylpropoxy)phenyl]carbamoyloxy]piperidin-1-yl]iminomethyl]benzoate
CID 91465128
N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyrrolidine-2-carboxamide
CID 110194171
[1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate
CID 91495196
(2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 767221
1-[(E)-(4-acetamidophenyl)methylideneamino]-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 110194215
1-amino-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 10015912
(2S)-1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 1119532

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]-N-naphthalen-1-ylpiperidine-2-carboxamide?
The IUPAC name of 1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]-N-naphthalen-1-ylpiperidine-2-carboxamide (CID 10027240) is 1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]-N-naphthalen-1-ylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]-N-naphthalen-1-ylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]-N-naphthalen-1-ylpiperidine-2-carboxamide is COc1ccc(/C=N/N2CCCCC2C(=O)Nc2cccc3ccccc23)cc1OCC(C)C.
What is the InChIKey of 1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]-N-naphthalen-1-ylpiperidine-2-carboxamide?
The InChIKey is UOMBKCUQGHQWBK-RDRPBHBLSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-20(2)19-34-27-17-21(14-15-26(27)33-3)18-29-31-16-7-6-13-25(31)28(32)30-24-12-8-10-22-9-4-5-11-23(22)24/h4-5,8-12,14-15,17-18,20,25H,6-7,13,16,19H2,1-3H3,(H,30,32)/b29-18+.
What are the key properties of 1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]-N-naphthalen-1-ylpiperidine-2-carboxamide?
1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]-N-naphthalen-1-ylpiperidine-2-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]-N-naphthalen-1-ylpiperidine-2-carboxamide is sourced from PubChem (CID 10027240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).