N-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

C25H34N4O3 — CID 45231108

IUPACN-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCCN1CCCC(O)C1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C25H34N4O3/c30-22-5-3-14-28(19-22)17-13-27-25(31)20-6-8-23(9-7-20)32-24-10-15-29(16-11-24)18-21-4-1-2-12-26-21/h1-2,4,6-9,12,22,24,30H,3,5,10-11,13-19H2,(H,27,31)
InChIKeyJGSDATWOWVEXEJ-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.31
Rot. Bonds8

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

N-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 45231108) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID45231108
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC NameN-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCCN1CCCC(O)C1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C25H34N4O3/c30-22-5-3-14-28(19-22)17-13-27-25(31)20-6-8-23(9-7-20)32-24-10-15-29(16-11-24)18-21-4-1-2-12-26-21/h1-2,4,6-9,12,22,24,30H,3,5,10-11,13-19H2,(H,27,31)
InChIKeyJGSDATWOWVEXEJ-UHFFFAOYSA-N
XLogP2.31
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42521569
N-[(2S)-3-ethoxy-2-hydroxypropyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 51903313
[(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 42522784
N-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 45206753
4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42197892
4-(1-cyclobutylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42395577
[(3S)-3-cyclohexylpyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 42522345
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
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
[3-(aminomethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone;dihydrochloride
CID 154900317
[3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 24791385

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 45231108) is N-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is O=C(NCCN1CCCC(O)C1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of N-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is JGSDATWOWVEXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c30-22-5-3-14-28(19-22)17-13-27-25(31)20-6-8-23(9-7-20)32-24-10-15-29(16-11-24)18-21-4-1-2-12-26-21/h1-2,4,6-9,12,22,24,30H,3,5,10-11,13-19H2,(H,27,31).
What are the key properties of N-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 438.57 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 45231108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).