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

C24H27N5O2 — CID 42521569

IUPACN-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCCc1cnccn1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C24H27N5O2/c30-24(28-12-8-20-17-25-13-14-27-20)19-4-6-22(7-5-19)31-23-9-15-29(16-10-23)18-21-3-1-2-11-26-21/h1-7,11,13-14,17,23H,8-10,12,15-16,18H2,(H,28,30)
InChIKeyQNKXXZUQOWQDLD-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.89
Rot. Bonds8

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

N-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 42521569) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID42521569
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCCc1cnccn1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C24H27N5O2/c30-24(28-12-8-20-17-25-13-14-27-20)19-4-6-22(7-5-19)31-23-9-15-29(16-10-23)18-21-3-1-2-11-26-21/h1-7,11,13-14,17,23H,8-10,12,15-16,18H2,(H,28,30)
InChIKeyQNKXXZUQOWQDLD-UHFFFAOYSA-N
XLogP2.89
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 45231108
N-[(2S)-3-ethoxy-2-hydroxypropyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 51903313
4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42197892
N-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 45206753
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
4-(1-cyclobutylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42395577
N-[1-(4-fluorophenyl)propyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 45189445
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
N-methyl-N-(oxan-4-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 25279804
4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 45217439
3-(1-pyrazin-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
CID 72889997
N-prop-2-enyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42522175

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 42521569) is N-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is O=C(NCCc1cnccn1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of N-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is QNKXXZUQOWQDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c30-24(28-12-8-20-17-25-13-14-27-20)19-4-6-22(7-5-19)31-23-9-15-29(16-10-23)18-21-3-1-2-11-26-21/h1-7,11,13-14,17,23H,8-10,12,15-16,18H2,(H,28,30).
What are the key properties of N-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 417.51 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 42521569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).