[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone

C21H29ClN2O2S — CID 42384375

IUPAC[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1)N1CCSCC1
InChIInChI=1S/C21H29ClN2O2S/c22-16-5-6-20(19(15-16)21(25)24-11-13-27-14-12-24)26-18-7-9-23(10-8-18)17-3-1-2-4-17/h5-6,15,17-18H,1-4,7-14H2
InChIKeyAHDKMAJMFXIWJU-UHFFFAOYSA-N
MW409.00 g/mol
LogP4.31
Rot. Bonds4

About [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone

[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone (PubChem CID 42384375) has the molecular formula C21H29ClN2O2S and a molecular weight of 409.00 g/mol. Its IUPAC name is [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone
PubChem CID42384375
Molecular FormulaC21H29ClN2O2S
Molecular Weight409.00 g/mol
Exact Mass408.16
IUPAC Name[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1)N1CCSCC1
InChIInChI=1S/C21H29ClN2O2S/c22-16-5-6-20(19(15-16)21(25)24-11-13-27-14-12-24)26-18-7-9-23(10-8-18)17-3-1-2-4-17/h5-6,15,17-18H,1-4,7-14H2
InChIKeyAHDKMAJMFXIWJU-UHFFFAOYSA-N
XLogP4.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.00
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 72873323
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxyethyl)benzamide
CID 72902039
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(4-hydroxycyclohexyl)benzamide
CID 25279312
[2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone
CID 26407325
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide
CID 26320596
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 42526551
(5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119625007
(5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546509
(5-chloro-2-methoxyphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617163
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(oxan-4-yl)benzamide
CID 26321796
(3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid
CID 99623082
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone (CID 42384375) is [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone is O=C(c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1)N1CCSCC1.
What is the InChIKey of [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone?
The InChIKey is AHDKMAJMFXIWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O2S/c22-16-5-6-20(19(15-16)21(25)24-11-13-27-14-12-24)26-18-7-9-23(10-8-18)17-3-1-2-4-17/h5-6,15,17-18H,1-4,7-14H2.
What are the key properties of [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone?
[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone has a molecular weight of 409.00 g/mol, XLogP of 4.31, 4 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)oxyphenyl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 42384375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).