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

C29H41N3O5 — CID 40586803

IUPAC(2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide
SMILESCOc1ccc(/C=N\N2CCCC[C@@H]2C(=O)Nc2ccc(OC)c(OCC(C)C)c2)cc1OCC(C)C
InChIInChI=1S/C29H41N3O5/c1-20(2)18-36-27-15-22(10-12-25(27)34-5)17-30-32-14-8-7-9-24(32)29(33)31-23-11-13-26(35-6)28(16-23)37-19-21(3)4/h10-13,15-17,20-21,24H,7-9,14,18-19H2,1-6H3,(H,31,33)/b30-17-/t24-/m1/s1
InChIKeyUZNPYUIFQREQST-GMOKZYNCSA-N
MW511.66 g/mol
LogP5.60
Rot. Bonds12

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

(2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide (PubChem CID 40586803) has the molecular formula C29H41N3O5 and a molecular weight of 511.66 g/mol. Its IUPAC name is (2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide
PubChem CID40586803
Molecular FormulaC29H41N3O5
Molecular Weight511.66 g/mol
Exact Mass511.30
IUPAC Name(2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide
SMILESCOc1ccc(/C=N\N2CCCC[C@@H]2C(=O)Nc2ccc(OC)c(OCC(C)C)c2)cc1OCC(C)C
InChIInChI=1S/C29H41N3O5/c1-20(2)18-36-27-15-22(10-12-25(27)34-5)17-30-32-14-8-7-9-24(32)29(33)31-23-11-13-26(35-6)28(16-23)37-19-21(3)4/h10-13,15-17,20-21,24H,7-9,14,18-19H2,1-6H3,(H,31,33)/b30-17-/t24-/m1/s1
InChIKeyUZNPYUIFQREQST-GMOKZYNCSA-N
XLogP5.60
TPSA81.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.66
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(E)-1H-pyrrol-2-ylmethylideneamino]piperidine-2-carboxamide
CID 135517407
1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 10027240
N-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide
CID 110194180
N-(4-acetamidophenyl)-1-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]piperidine-2-carboxamide
CID 110194218
(2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 767221
N-(4-carbamoylphenyl)-1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]piperidine-2-carboxamide
CID 10341505
1-[(E)-(4-acetamidophenyl)methylideneamino]-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 110194215
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
(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
[1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate
CID 91495196

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide (CID 40586803) is (2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide is COc1ccc(/C=N\N2CCCC[C@@H]2C(=O)Nc2ccc(OC)c(OCC(C)C)c2)cc1OCC(C)C.
What is the InChIKey of (2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide?
The InChIKey is UZNPYUIFQREQST-GMOKZYNCSA-N. The full InChI is InChI=1S/C29H41N3O5/c1-20(2)18-36-27-15-22(10-12-25(27)34-5)17-30-32-14-8-7-9-24(32)29(33)31-23-11-13-26(35-6)28(16-23)37-19-21(3)4/h10-13,15-17,20-21,24H,7-9,14,18-19H2,1-6H3,(H,31,33)/b30-17-/t24-/m1/s1.
What are the key properties of (2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide?
(2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide has a molecular weight of 511.66 g/mol, XLogP of 5.60, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide is sourced from PubChem (CID 40586803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).