3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide

C22H27N3O3 — CID 9232157

IUPAC3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C(/C)c2ccc(N3CCCCC3)cc2)cc1OC
InChIInChI=1S/C22H27N3O3/c1-16(17-7-10-19(11-8-17)25-13-5-4-6-14-25)23-24-22(26)18-9-12-20(27-2)21(15-18)28-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,26)/b23-16-
InChIKeySVAFOSFVTVLOPO-KQWNVCNZSA-N
MW381.48 g/mol
LogP3.85
Rot. Bonds6

About 3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide

3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide (PubChem CID 9232157) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide
PubChem CID9232157
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C(/C)c2ccc(N3CCCCC3)cc2)cc1OC
InChIInChI=1S/C22H27N3O3/c1-16(17-7-10-19(11-8-17)25-13-5-4-6-14-25)23-24-22(26)18-9-12-20(27-2)21(15-18)28-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,26)/b23-16-
InChIKeySVAFOSFVTVLOPO-KQWNVCNZSA-N
XLogP3.85
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 7966581
N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 3484364
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
CID 6180512
N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 7965570
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
N-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]pyrazine-2-carboxamide
CID 96996113
N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-5-propan-2-ylthiophene-3-carboxamide
CID 17310997
2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9232127
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-bromobenzamide
CID 4301552
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-3,4-dimethoxybenzamide
CID 110361803
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 17481283

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide (CID 9232157) is 3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide is COc1ccc(C(=O)N/N=C(/C)c2ccc(N3CCCCC3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide?
The InChIKey is SVAFOSFVTVLOPO-KQWNVCNZSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(17-7-10-19(11-8-17)25-13-5-4-6-14-25)23-24-22(26)18-9-12-20(27-2)21(15-18)28-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,26)/b23-16-.
What are the key properties of 3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide?
3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 9232157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).