5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide

C22H31ClN2O3 — CID 26320596

IUPAC5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H31ClN2O3/c23-16-5-6-21(20(15-16)22(26)24-17-9-13-27-14-10-17)28-19-7-11-25(12-8-19)18-3-1-2-4-18/h5-6,15,17-19H,1-4,7-14H2,(H,24,26)
InChIKeyPZDQOATXYAETLX-UHFFFAOYSA-N
MW406.95 g/mol
LogP4.03
Rot. Bonds5

About 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide

5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide (PubChem CID 26320596) has the molecular formula C22H31ClN2O3 and a molecular weight of 406.95 g/mol. Its IUPAC name is 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide
PubChem CID26320596
Molecular FormulaC22H31ClN2O3
Molecular Weight406.95 g/mol
Exact Mass406.20
IUPAC Name5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H31ClN2O3/c23-16-5-6-21(20(15-16)22(26)24-17-9-13-27-14-10-17)28-19-7-11-25(12-8-19)18-3-1-2-4-18/h5-6,15,17-19H,1-4,7-14H2,(H,24,26)
InChIKeyPZDQOATXYAETLX-UHFFFAOYSA-N
XLogP4.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.95
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(4-hydroxycyclohexyl)benzamide
CID 25279312
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxyethyl)benzamide
CID 72902039
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(oxan-4-yl)benzamide
CID 26321796
5-chloro-2-cyclopentyloxy-N-(4-hydroxycyclohexyl)benzamide
CID 111778241
[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 72873323
[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone
CID 42384375
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide
CID 45252361
5-chloro-2-cyclopentyloxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428659
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide
CID 119459098
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 42344586
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide
CID 45193423
4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide
CID 46548528

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide?
The IUPAC name of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide (CID 26320596) is 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide?
The canonical SMILES for 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide is O=C(NC1CCOCC1)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1.
What is the InChIKey of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide?
The InChIKey is PZDQOATXYAETLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN2O3/c23-16-5-6-21(20(15-16)22(26)24-17-9-13-27-14-10-17)28-19-7-11-25(12-8-19)18-3-1-2-4-18/h5-6,15,17-19H,1-4,7-14H2,(H,24,26).
What are the key properties of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide?
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide has a molecular weight of 406.95 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 26320596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).