N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide

C23H25N3O2S — CID 42462930

IUPACN-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCc1cccnc1)c1cccc(OC2CCN(Cc3ccsc3)CC2)c1
InChIInChI=1S/C23H25N3O2S/c27-23(25-15-18-3-2-9-24-14-18)20-4-1-5-22(13-20)28-21-6-10-26(11-7-21)16-19-8-12-29-17-19/h1-5,8-9,12-14,17,21H,6-7,10-11,15-16H2,(H,25,27)
InChIKeyZOWCCNPFOBMTBE-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.12
Rot. Bonds7

About N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide

N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 42462930) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID42462930
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCc1cccnc1)c1cccc(OC2CCN(Cc3ccsc3)CC2)c1
InChIInChI=1S/C23H25N3O2S/c27-23(25-15-18-3-2-9-24-14-18)20-4-1-5-22(13-20)28-21-6-10-26(11-7-21)16-19-8-12-29-17-19/h1-5,8-9,12-14,17,21H,6-7,10-11,15-16H2,(H,25,27)
InChIKeyZOWCCNPFOBMTBE-UHFFFAOYSA-N
XLogP4.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-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

Related Compounds

3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
CID 42557626
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 56552164
3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
CID 45214832
N-benzyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxybenzamide
CID 42526081
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 10165231
2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 91815462
3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895865
3-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895892
N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 25287963
N-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 46191383
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide (CID 42462930) is N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide is O=C(NCc1cccnc1)c1cccc(OC2CCN(Cc3ccsc3)CC2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is ZOWCCNPFOBMTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c27-23(25-15-18-3-2-9-24-14-18)20-4-1-5-22(13-20)28-21-6-10-26(11-7-21)16-19-8-12-29-17-19/h1-5,8-9,12-14,17,21H,6-7,10-11,15-16H2,(H,25,27).
What are the key properties of N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide?
N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 407.54 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 42462930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).