N-(pyridin-2-ylmethyl)-4-[1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide

C26H30N4O2 — CID 42515899

IUPACN-(pyridin-2-ylmethyl)-4-[1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide
SMILESC[C@@H](Cc1cccnc1)N1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1
InChIInChI=1S/C26H30N4O2/c1-20(17-21-5-4-13-27-18-21)30-15-11-25(12-16-30)32-24-9-7-22(8-10-24)26(31)29-19-23-6-2-3-14-28-23/h2-10,13-14,18,20,25H,11-12,15-17,19H2,1H3,(H,29,31)/t20-/m0/s1
InChIKeyDWQLBKOAXWIYKV-FQEVSTJZSA-N
MW430.55 g/mol
LogP3.88
Rot. Bonds8

About N-(pyridin-2-ylmethyl)-4-[1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide

N-(pyridin-2-ylmethyl)-4-[1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide (PubChem CID 42515899) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-4-[1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-4-[1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide
PubChem CID42515899
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-(pyridin-2-ylmethyl)-4-[1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide
SMILESC[C@@H](Cc1cccnc1)N1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1
InChIInChI=1S/C26H30N4O2/c1-20(17-21-5-4-13-27-18-21)30-15-11-25(12-16-30)32-24-9-7-22(8-10-24)26(31)29-19-23-6-2-3-14-28-23/h2-10,13-14,18,20,25H,11-12,15-17,19H2,1H3,(H,29,31)/t20-/m0/s1
InChIKeyDWQLBKOAXWIYKV-FQEVSTJZSA-N
XLogP3.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-cyclobutylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42395577
4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42197892
3-chloro-N-cyclopentyl-4-[1-[(2R)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 42198239
N-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42521569
4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide
CID 25299380
3-(1-pyrazin-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
CID 72889997
4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 45217439
N-[2-(dimethylamino)ethyl]-N-methyl-3-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide
CID 45224659
3-chloro-N-(2-methoxyethyl)-4-[1-[(2R)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 25299524
3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide
CID 45216288
4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
CID 142259068
N-[(2S)-3-ethoxy-2-hydroxypropyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 51903313

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-4-[1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-4-[1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide (CID 42515899) is N-(pyridin-2-ylmethyl)-4-[1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-4-[1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-4-[1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide is C[C@@H](Cc1cccnc1)N1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-4-[1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide?
The InChIKey is DWQLBKOAXWIYKV-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-20(17-21-5-4-13-27-18-21)30-15-11-25(12-16-30)32-24-9-7-22(8-10-24)26(31)29-19-23-6-2-3-14-28-23/h2-10,13-14,18,20,25H,11-12,15-17,19H2,1H3,(H,29,31)/t20-/m0/s1.
What are the key properties of N-(pyridin-2-ylmethyl)-4-[1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide?
N-(pyridin-2-ylmethyl)-4-[1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide has a molecular weight of 430.55 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-4-[1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 42515899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).