2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide

C22H34N2O5 — CID 56700795

IUPAC2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide
SMILESCOCC(O)CNC(=O)c1cc(OC)ccc1OC1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H34N2O5/c1-27-15-17(25)14-23-22(26)20-13-19(28-2)7-8-21(20)29-18-9-11-24(12-10-18)16-5-3-4-6-16/h7-8,13,16-18,25H,3-6,9-12,14-15H2,1-2H3,(H,23,26)
InChIKeyPUUFEADQQXEYFY-UHFFFAOYSA-N
MW406.52 g/mol
LogP2.22
Rot. Bonds9

About 2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide

2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide (PubChem CID 56700795) has the molecular formula C22H34N2O5 and a molecular weight of 406.52 g/mol. Its IUPAC name is 2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide
PubChem CID56700795
Molecular FormulaC22H34N2O5
Molecular Weight406.52 g/mol
Exact Mass406.25
IUPAC Name2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide
SMILESCOCC(O)CNC(=O)c1cc(OC)ccc1OC1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H34N2O5/c1-27-15-17(25)14-23-22(26)20-13-19(28-2)7-8-21(20)29-18-9-11-24(12-10-18)16-5-3-4-6-16/h7-8,13,16-18,25H,3-6,9-12,14-15H2,1-2H3,(H,23,26)
InChIKeyPUUFEADQQXEYFY-UHFFFAOYSA-N
XLogP2.22
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide
CID 45252361
2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-(1-methylcyclopropyl)benzamide
CID 72934525
2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride
CID 154899746
2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 25456293
[2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone
CID 26407325
2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methoxybenzamide
CID 42241969
2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide
CID 42384099
[2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 42566083
2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42403030
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxyethyl)benzamide
CID 72902039
2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide
CID 113305193
4-(1-cyclopentylpiperidin-4-yl)oxy-N-ethyl-3-methoxybenzamide
CID 72907605

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide?
The IUPAC name of 2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide (CID 56700795) is 2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide.
What is the SMILES notation for 2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide?
The canonical SMILES for 2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide is COCC(O)CNC(=O)c1cc(OC)ccc1OC1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide?
The InChIKey is PUUFEADQQXEYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O5/c1-27-15-17(25)14-23-22(26)20-13-19(28-2)7-8-21(20)29-18-9-11-24(12-10-18)16-5-3-4-6-16/h7-8,13,16-18,25H,3-6,9-12,14-15H2,1-2H3,(H,23,26).
What are the key properties of 2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide?
2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide has a molecular weight of 406.52 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide is sourced from PubChem (CID 56700795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).