2-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

C23H24N4O3S — CID 42359213

IUPAC2-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cscn1)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C23H24N4O3S/c28-22(25-11-7-18-15-31-16-26-18)20-5-1-2-6-21(20)30-19-8-12-27(13-9-19)23(29)17-4-3-10-24-14-17/h1-6,10,14-16,19H,7-9,11-13H2,(H,25,28)
InChIKeyPDZYHQMVONKRLQ-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.19
Rot. Bonds7

About 2-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

2-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 42359213) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID42359213
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name2-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cscn1)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C23H24N4O3S/c28-22(25-11-7-18-15-31-16-26-18)20-5-1-2-6-21(20)30-19-8-12-27(13-9-19)23(29)17-4-3-10-24-14-17/h1-6,10,14-16,19H,7-9,11-13H2,(H,25,28)
InChIKeyPDZYHQMVONKRLQ-UHFFFAOYSA-N
XLogP3.19
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide 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 2-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (CID 42359213) is 2-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is O=C(NCCc1cscn1)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 2-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is PDZYHQMVONKRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c28-22(25-11-7-18-15-31-16-26-18)20-5-1-2-6-21(20)30-19-8-12-27(13-9-19)23(29)17-4-3-10-24-14-17/h1-6,10,14-16,19H,7-9,11-13H2,(H,25,28).
What are the key properties of 2-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
2-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 436.54 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 42359213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).