N-[(1-benzylpiperidin-4-ylidene)amino]-2-methoxybenzamide

C20H23N3O2 — CID 840507

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NN=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3O2/c1-25-19-10-6-5-9-18(19)20(24)22-21-17-11-13-23(14-12-17)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,24)
InChIKeyGNQMDGIZKSASCF-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.08
Rot. Bonds5

About N-[(1-benzylpiperidin-4-ylidene)amino]-2-methoxybenzamide

N-[(1-benzylpiperidin-4-ylidene)amino]-2-methoxybenzamide (PubChem CID 840507) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]-2-methoxybenzamide
PubChem CID840507
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NN=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3O2/c1-25-19-10-6-5-9-18(19)20(24)22-21-17-11-13-23(14-12-17)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,24)
InChIKeyGNQMDGIZKSASCF-UHFFFAOYSA-N
XLogP3.08
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2-methoxybenzamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2-methoxybenzamide (CID 840507) is N-[(1-benzylpiperidin-4-ylidene)amino]-2-methoxybenzamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]-2-methoxybenzamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]-2-methoxybenzamide is COc1ccccc1C(=O)NN=C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]-2-methoxybenzamide?
The InChIKey is GNQMDGIZKSASCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-25-19-10-6-5-9-18(19)20(24)22-21-17-11-13-23(14-12-17)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,24).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]-2-methoxybenzamide?
N-[(1-benzylpiperidin-4-ylidene)amino]-2-methoxybenzamide has a molecular weight of 337.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-ylidene)amino]-2-methoxybenzamide is sourced from PubChem (CID 840507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).