N-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide

C23H25N3O2S — CID 42198673

IUPACN-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCc1ccncc1)c1ccc(OC2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C23H25N3O2S/c27-23(25-16-18-7-11-24-12-8-18)19-3-5-20(6-4-19)28-21-9-13-26(14-10-21)17-22-2-1-15-29-22/h1-8,11-12,15,21H,9-10,13-14,16-17H2,(H,25,27)
InChIKeySZBDNPZHSGAYDJ-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.12
Rot. Bonds7

About N-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide

N-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 42198673) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID42198673
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCc1ccncc1)c1ccc(OC2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C23H25N3O2S/c27-23(25-16-18-7-11-24-12-8-18)19-3-5-20(6-4-19)28-21-9-13-26(14-10-21)17-22-2-1-15-29-22/h1-8,11-12,15,21H,9-10,13-14,16-17H2,(H,25,27)
InChIKeySZBDNPZHSGAYDJ-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

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Related Compounds

4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide
CID 42292182
4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide
CID 25299380
4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 45217439
4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42197892
3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896234
4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 17398321
5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56731000
(2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739094
N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42462930
4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 91813626
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 59074854
4-(1-cyclobutylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42395577

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 42198673) is N-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide is O=C(NCc1ccncc1)c1ccc(OC2CCN(Cc3cccs3)CC2)cc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is SZBDNPZHSGAYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c27-23(25-16-18-7-11-24-12-8-18)19-3-5-20(6-4-19)28-21-9-13-26(14-10-21)17-22-2-1-15-29-22/h1-8,11-12,15,21H,9-10,13-14,16-17H2,(H,25,27).
What are the key properties of N-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-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-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 42198673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).