N-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

C27H29N3O3 — CID 24817101

IUPACN-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCC#CCN(Cc1ccco1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C27H29N3O3/c1-2-3-16-30(21-26-8-6-19-32-26)27(31)22-9-11-24(12-10-22)33-25-13-17-29(18-14-25)20-23-7-4-5-15-28-23/h4-12,15,19,25H,13-14,16-18,20-21H2,1H3
InChIKeyIIFADTKBENDQTK-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.38
Rot. Bonds8

About N-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

N-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 24817101) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID24817101
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCC#CCN(Cc1ccco1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C27H29N3O3/c1-2-3-16-30(21-26-8-6-19-32-26)27(31)22-9-11-24(12-10-22)33-25-13-17-29(18-14-25)20-23-7-4-5-15-28-23/h4-12,15,19,25H,13-14,16-18,20-21H2,1H3
InChIKeyIIFADTKBENDQTK-UHFFFAOYSA-N
XLogP4.38
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 24817101) is N-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is CC#CCN(Cc1ccco1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of N-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is IIFADTKBENDQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-2-3-16-30(21-26-8-6-19-32-26)27(31)22-9-11-24(12-10-22)33-25-13-17-29(18-14-25)20-23-7-4-5-15-28-23/h4-12,15,19,25H,13-14,16-18,20-21H2,1H3.
What are the key properties of N-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 443.55 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24817101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).