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

C23H27N3O5 — CID 126011002

IUPAC1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESCOc1cc(/C=N\NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H27N3O5/c1-29-19-13-16(14-20(30-2)21(19)31-3)15-24-25-22(27)17-9-11-26(12-10-17)23(28)18-7-5-4-6-8-18/h4-8,13-15,17H,9-12H2,1-3H3,(H,25,27)/b24-15-
InChIKeyCJEKYPXOLWZGGY-IWIPYMOSSA-N
MW425.49 g/mol
LogP2.71
Rot. Bonds7

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

1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide (PubChem CID 126011002) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
PubChem CID126011002
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESCOc1cc(/C=N\NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H27N3O5/c1-29-19-13-16(14-20(30-2)21(19)31-3)15-24-25-22(27)17-9-11-26(12-10-17)23(28)18-7-5-4-6-8-18/h4-8,13-15,17H,9-12H2,1-3H3,(H,25,27)/b24-15-
InChIKeyCJEKYPXOLWZGGY-IWIPYMOSSA-N
XLogP2.71
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126011029
1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126012287
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
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 126013819
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126013238
1-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126012354
N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126013004
1-(3,4-dimethoxybenzoyl)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]piperidine-4-carboxamide
CID 126010765
1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide
CID 126011112
1-(4-methoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126010940
N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 126013213

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide (CID 126011002) is 1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide is COc1cc(/C=N\NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1OC.
What is the InChIKey of 1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The InChIKey is CJEKYPXOLWZGGY-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-29-19-13-16(14-20(30-2)21(19)31-3)15-24-25-22(27)17-9-11-26(12-10-17)23(28)18-7-5-4-6-8-18/h4-8,13-15,17H,9-12H2,1-3H3,(H,25,27)/b24-15-.
What are the key properties of 1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 126011002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).