1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide

C29H31N3O5 — CID 3862556

IUPAC1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)NN=Cc3ccccc3OCc3ccccc3)CC2)c1
InChIInChI=1S/C29H31N3O5/c1-35-25-16-24(17-26(18-25)36-2)29(34)32-14-12-22(13-15-32)28(33)31-30-19-23-10-6-7-11-27(23)37-20-21-8-4-3-5-9-21/h3-11,16-19,22H,12-15,20H2,1-2H3,(H,31,33)
InChIKeyUHIVUYXKIXDBBJ-UHFFFAOYSA-N
MW501.58 g/mol
LogP4.29
Rot. Bonds9

About 1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide

1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide (PubChem CID 3862556) has the molecular formula C29H31N3O5 and a molecular weight of 501.58 g/mol. Its IUPAC name is 1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
PubChem CID3862556
Molecular FormulaC29H31N3O5
Molecular Weight501.58 g/mol
Exact Mass501.23
IUPAC Name1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)NN=Cc3ccccc3OCc3ccccc3)CC2)c1
InChIInChI=1S/C29H31N3O5/c1-35-25-16-24(17-26(18-25)36-2)29(34)32-14-12-22(13-15-32)28(33)31-30-19-23-10-6-7-11-27(23)37-20-21-8-4-3-5-9-21/h3-11,16-19,22H,12-15,20H2,1-2H3,(H,31,33)
InChIKeyUHIVUYXKIXDBBJ-UHFFFAOYSA-N
XLogP4.29
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.58
LogP ≤ 54.29
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-(4-methoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126010940
1-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126012354
1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126012287
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
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126012049
1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide
CID 126011130
N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126013004
N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 126013213
1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126011002
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126014066
1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 137022805

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide (CID 3862556) is 1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(C(=O)NN=Cc3ccccc3OCc3ccccc3)CC2)c1.
What is the InChIKey of 1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The InChIKey is UHIVUYXKIXDBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O5/c1-35-25-16-24(17-26(18-25)36-2)29(34)32-14-12-22(13-15-32)28(33)31-30-19-23-10-6-7-11-27(23)37-20-21-8-4-3-5-9-21/h3-11,16-19,22H,12-15,20H2,1-2H3,(H,31,33).
What are the key properties of 1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide has a molecular weight of 501.58 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 3862556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).