5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide

C22H33ClN2O4 — CID 45252361

IUPAC5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide
SMILESCCOCC(O)CNC(=O)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H33ClN2O4/c1-2-28-15-18(26)14-24-22(27)20-13-16(23)7-8-21(20)29-19-9-11-25(12-10-19)17-5-3-4-6-17/h7-8,13,17-19,26H,2-6,9-12,14-15H2,1H3,(H,24,27)
InChIKeyQXTUWUISPPLZHX-UHFFFAOYSA-N
MW424.97 g/mol
LogP3.25
Rot. Bonds9

About 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide

5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide (PubChem CID 45252361) has the molecular formula C22H33ClN2O4 and a molecular weight of 424.97 g/mol. Its IUPAC name is 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide
PubChem CID45252361
Molecular FormulaC22H33ClN2O4
Molecular Weight424.97 g/mol
Exact Mass424.21
IUPAC Name5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide
SMILESCCOCC(O)CNC(=O)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H33ClN2O4/c1-2-28-15-18(26)14-24-22(27)20-13-16(23)7-8-21(20)29-19-9-11-25(12-10-19)17-5-3-4-6-17/h7-8,13,17-19,26H,2-6,9-12,14-15H2,1H3,(H,24,27)
InChIKeyQXTUWUISPPLZHX-UHFFFAOYSA-N
XLogP3.25
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.97
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide?
The IUPAC name of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide (CID 45252361) is 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide.
What is the SMILES notation for 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide?
The canonical SMILES for 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide is CCOCC(O)CNC(=O)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1.
What is the InChIKey of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide?
The InChIKey is QXTUWUISPPLZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN2O4/c1-2-28-15-18(26)14-24-22(27)20-13-16(23)7-8-21(20)29-19-9-11-25(12-10-19)17-5-3-4-6-17/h7-8,13,17-19,26H,2-6,9-12,14-15H2,1H3,(H,24,27).
What are the key properties of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide?
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide has a molecular weight of 424.97 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide is sourced from PubChem (CID 45252361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).