1-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide

C25H31N3O7 — CID 126011029

IUPAC1-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)N/N=C\c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC
InChIInChI=1S/C25H31N3O7/c1-31-19-7-6-18(14-20(19)32-2)25(30)28-10-8-17(9-11-28)24(29)27-26-15-16-12-21(33-3)23(35-5)22(13-16)34-4/h6-7,12-15,17H,8-11H2,1-5H3,(H,27,29)/b26-15-
InChIKeyCSWKTFOUGBRCMU-YSMPRRRNSA-N
MW485.54 g/mol
LogP2.73
Rot. Bonds9

About 1-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide

1-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide (PubChem CID 126011029) has the molecular formula C25H31N3O7 and a molecular weight of 485.54 g/mol. Its IUPAC name is 1-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
PubChem CID126011029
Molecular FormulaC25H31N3O7
Molecular Weight485.54 g/mol
Exact Mass485.22
IUPAC Name1-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)N/N=C\c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC
InChIInChI=1S/C25H31N3O7/c1-31-19-7-6-18(14-20(19)32-2)25(30)28-10-8-17(9-11-28)24(29)27-26-15-16-12-21(33-3)23(35-5)22(13-16)34-4/h6-7,12-15,17H,8-11H2,1-5H3,(H,27,29)/b26-15-
InChIKeyCSWKTFOUGBRCMU-YSMPRRRNSA-N
XLogP2.73
TPSA107.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126011002
1-(3,4-dimethoxybenzoyl)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]piperidine-4-carboxamide
CID 126010765
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126013520
1-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]piperidine-4-carboxamide
CID 137022770
1-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126012354
N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126029026
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 126013819
methyl 4-[[[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]hydrazinylidene]methyl]benzoate
CID 3349670
1-(4-methoxybenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126011033
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126012049
1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178
1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126012287

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide (CID 126011029) is 1-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide is COc1ccc(C(=O)N2CCC(C(=O)N/N=C\c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The InChIKey is CSWKTFOUGBRCMU-YSMPRRRNSA-N. The full InChI is InChI=1S/C25H31N3O7/c1-31-19-7-6-18(14-20(19)32-2)25(30)28-10-8-17(9-11-28)24(29)27-26-15-16-12-21(33-3)23(35-5)22(13-16)34-4/h6-7,12-15,17H,8-11H2,1-5H3,(H,27,29)/b26-15-.
What are the key properties of 1-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
1-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 126011029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).