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

C28H33N3O2 — CID 45206753

IUPACN-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCCCC(NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)c1ccccc1
InChIInChI=1S/C28H33N3O2/c1-2-8-27(22-9-4-3-5-10-22)30-28(32)23-12-14-25(15-13-23)33-26-16-19-31(20-17-26)21-24-11-6-7-18-29-24/h3-7,9-15,18,26-27H,2,8,16-17,19-21H2,1H3,(H,30,32)
InChIKeyHFOWIUSLNQGQQU-UHFFFAOYSA-N
MW443.59 g/mol
LogP5.40
Rot. Bonds9

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

N-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 45206753) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID45206753
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC NameN-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCCCC(NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)c1ccccc1
InChIInChI=1S/C28H33N3O2/c1-2-8-27(22-9-4-3-5-10-22)30-28(32)23-12-14-25(15-13-23)33-26-16-19-31(20-17-26)21-24-11-6-7-18-29-24/h3-7,9-15,18,26-27H,2,8,16-17,19-21H2,1H3,(H,30,32)
InChIKeyHFOWIUSLNQGQQU-UHFFFAOYSA-N
XLogP5.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)propyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 45189445
4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 45217439
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
[3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 24791385
N-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 45231108
[3-(aminomethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone;dihydrochloride
CID 154900317
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 96531141
[(3S)-3-cyclohexylpyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 42522345
N-methyl-N-(oxan-4-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 25279804

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 45206753) is N-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is CCCC(NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)c1ccccc1.
What is the InChIKey of N-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is HFOWIUSLNQGQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-2-8-27(22-9-4-3-5-10-22)30-28(32)23-12-14-25(15-13-23)33-26-16-19-31(20-17-26)21-24-11-6-7-18-29-24/h3-7,9-15,18,26-27H,2,8,16-17,19-21H2,1H3,(H,30,32).
What are the key properties of N-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 443.59 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 45206753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).