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

C29H31N3O5 — CID 126012354

IUPAC1-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)N/N=C\c3ccccc3OCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C29H31N3O5/c1-35-26-13-12-23(18-27(26)36-2)29(34)32-16-14-22(15-17-32)28(33)31-30-19-24-10-6-7-11-25(24)37-20-21-8-4-3-5-9-21/h3-13,18-19,22H,14-17,20H2,1-2H3,(H,31,33)/b30-19-
InChIKeyKXHSTURMSBUGTN-FSGOGVSDSA-N
MW501.58 g/mol
LogP4.29
Rot. Bonds9

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

1-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide (PubChem CID 126012354) has the molecular formula C29H31N3O5 and a molecular weight of 501.58 g/mol. Its IUPAC name is 1-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
PubChem CID126012354
Molecular FormulaC29H31N3O5
Molecular Weight501.58 g/mol
Exact Mass501.23
IUPAC Name1-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)N/N=C\c3ccccc3OCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C29H31N3O5/c1-35-26-13-12-23(18-27(26)36-2)29(34)32-16-14-22(15-17-32)28(33)31-30-19-24-10-6-7-11-25(24)37-20-21-8-4-3-5-9-21/h3-13,18-19,22H,14-17,20H2,1-2H3,(H,31,33)/b30-19-
InChIKeyKXHSTURMSBUGTN-FSGOGVSDSA-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-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 3862556
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126013520
4-[[2-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126342942
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-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]piperidine-4-carboxamide
CID 137022770
3-ethoxy-4-methoxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 126322287
1-(3,4-dimethoxybenzoyl)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]piperidine-4-carboxamide
CID 126010765
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 126013819
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126012049

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide (CID 126012354) is 1-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide is COc1ccc(C(=O)N2CCC(C(=O)N/N=C\c3ccccc3OCc3ccccc3)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The InChIKey is KXHSTURMSBUGTN-FSGOGVSDSA-N. The full InChI is InChI=1S/C29H31N3O5/c1-35-26-13-12-23(18-27(26)36-2)29(34)32-16-14-22(15-17-32)28(33)31-30-19-24-10-6-7-11-25(24)37-20-21-8-4-3-5-9-21/h3-13,18-19,22H,14-17,20H2,1-2H3,(H,31,33)/b30-19-.
What are the key properties of 1-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
1-(3,4-dimethoxybenzoyl)-N-[(Z)-(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-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 126012354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).