N-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide

C24H23N3O3 — CID 41375524

IUPACN-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NN=C(c1ccccc1)c1ccccc1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H23N3O3/c28-23(20-13-15-27(16-14-20)24(29)21-12-7-17-30-21)26-25-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,20H,13-16H2,(H,26,28)
InChIKeyCCRYEQZDQKQSLF-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.70
Rot. Bonds5

About N-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide

N-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 41375524) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID41375524
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NN=C(c1ccccc1)c1ccccc1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H23N3O3/c28-23(20-13-15-27(16-14-20)24(29)21-12-7-17-30-21)26-25-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,20H,13-16H2,(H,26,28)
InChIKeyCCRYEQZDQKQSLF-UHFFFAOYSA-N
XLogP3.70
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.70
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-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 41375524) is N-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide is O=C(NN=C(c1ccccc1)c1ccccc1)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is CCRYEQZDQKQSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-23(20-13-15-27(16-14-20)24(29)21-12-7-17-30-21)26-25-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,20H,13-16H2,(H,26,28).
What are the key properties of N-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 41375524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).