5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide

C23H29ClN2O2S — CID 42526551

IUPAC5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(Cc1cccs1)C(=O)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H29ClN2O2S/c1-25(16-20-7-4-14-29-20)23(27)21-15-17(24)8-9-22(21)28-19-10-12-26(13-11-19)18-5-2-3-6-18/h4,7-9,14-15,18-19H,2-3,5-6,10-13,16H2,1H3
InChIKeyCLJRIUTVDNBXLF-UHFFFAOYSA-N
MW433.02 g/mol
LogP5.46
Rot. Bonds6

About 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide

5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 42526551) has the molecular formula C23H29ClN2O2S and a molecular weight of 433.02 g/mol. Its IUPAC name is 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID42526551
Molecular FormulaC23H29ClN2O2S
Molecular Weight433.02 g/mol
Exact Mass432.16
IUPAC Name5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(Cc1cccs1)C(=O)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H29ClN2O2S/c1-25(16-20-7-4-14-29-20)23(27)21-15-17(24)8-9-22(21)28-19-10-12-26(13-11-19)18-5-2-3-6-18/h4,7-9,14-15,18-19H,2-3,5-6,10-13,16H2,1H3
InChIKeyCLJRIUTVDNBXLF-UHFFFAOYSA-N
XLogP5.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.02
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(oxan-4-yl)benzamide
CID 26321796
[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone
CID 42384375
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxyethyl)benzamide
CID 72902039
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)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 72873323
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide
CID 26320596
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide
CID 45252361
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(4-hydroxycyclohexyl)benzamide
CID 25279312
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 55308044
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide
CID 45193423
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 25491681

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 42526551) is 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide is CN(Cc1cccs1)C(=O)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1.
What is the InChIKey of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is CLJRIUTVDNBXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2S/c1-25(16-20-7-4-14-29-20)23(27)21-15-17(24)8-9-22(21)28-19-10-12-26(13-11-19)18-5-2-3-6-18/h4,7-9,14-15,18-19H,2-3,5-6,10-13,16H2,1H3.
What are the key properties of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 433.02 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 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-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 42526551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).