5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

C22H28ClN3O2S — CID 42344586

IUPAC5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CNC(=O)c2cc(Cl)ccc2OC2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C22H28ClN3O2S/c1-15-14-29-21(25-15)13-24-22(27)19-12-16(23)6-7-20(19)28-18-8-10-26(11-9-18)17-4-2-3-5-17/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,24,27)
InChIKeyVGYDLEMJFIVOAT-UHFFFAOYSA-N
MW434.01 g/mol
LogP4.82
Rot. Bonds6

About 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 42344586) has the molecular formula C22H28ClN3O2S and a molecular weight of 434.01 g/mol. Its IUPAC name is 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID42344586
Molecular FormulaC22H28ClN3O2S
Molecular Weight434.01 g/mol
Exact Mass433.16
IUPAC Name5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CNC(=O)c2cc(Cl)ccc2OC2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C22H28ClN3O2S/c1-15-14-29-21(25-15)13-24-22(27)19-12-16(23)6-7-20(19)28-18-8-10-26(11-9-18)17-4-2-3-5-17/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,24,27)
InChIKeyVGYDLEMJFIVOAT-UHFFFAOYSA-N
XLogP4.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.01
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxyethyl)benzamide
CID 72902039
1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 72844101
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
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide
CID 26320596
5-chloro-2-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 62247849
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 42526551
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide
CID 45193423
[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone
CID 42384375
2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 25456293
[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 72873323
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(oxan-4-yl)benzamide
CID 26321796

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (CID 42344586) is 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is Cc1csc(CNC(=O)c2cc(Cl)ccc2OC2CCN(C3CCCC3)CC2)n1.
What is the InChIKey of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is VGYDLEMJFIVOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2S/c1-15-14-29-21(25-15)13-24-22(27)19-12-16(23)6-7-20(19)28-18-8-10-26(11-9-18)17-4-2-3-5-17/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,24,27).
What are the key properties of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 434.01 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 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-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 42344586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).