4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide

C25H29N3O2S — CID 45217439

IUPAC4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(Cc1cccs1)NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C25H29N3O2S/c1-19(17-24-6-4-16-31-24)27-25(29)20-7-9-22(10-8-20)30-23-11-14-28(15-12-23)18-21-5-2-3-13-26-21/h2-10,13,16,19,23H,11-12,14-15,17-18H2,1H3,(H,27,29)
InChIKeyHLWJLPOTOMCZKV-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.55
Rot. Bonds8

About 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide

4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide (PubChem CID 45217439) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
PubChem CID45217439
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC Name4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(Cc1cccs1)NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C25H29N3O2S/c1-19(17-24-6-4-16-31-24)27-25(29)20-7-9-22(10-8-20)30-23-11-14-28(15-12-23)18-21-5-2-3-13-26-21/h2-10,13,16,19,23H,11-12,14-15,17-18H2,1H3,(H,27,29)
InChIKeyHLWJLPOTOMCZKV-UHFFFAOYSA-N
XLogP4.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 45206753
N-[1-(4-fluorophenyl)propyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 45189445
N-[(2S)-3-ethoxy-2-hydroxypropyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 51903313
N-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42521569
N-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42198673
4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42197892
N-methyl-N-(oxan-4-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 25279804
N-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 45231108
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
[3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 24791385
N-(pyridin-2-ylmethyl)-4-[1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 42515899

Frequently Asked Questions

What is the IUPAC name of 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The IUPAC name of 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide (CID 45217439) is 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide is CC(Cc1cccs1)NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The InChIKey is HLWJLPOTOMCZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-19(17-24-6-4-16-31-24)27-25(29)20-7-9-22(10-8-20)30-23-11-14-28(15-12-23)18-21-5-2-3-13-26-21/h2-10,13,16,19,23H,11-12,14-15,17-18H2,1H3,(H,27,29).
What are the key properties of 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide has a molecular weight of 435.59 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 45217439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).