1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid

C19H25NO5S — CID 119349604

IUPAC1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N3CCC(C(=O)O)CC3)CCCC2)cc1
InChIInChI=1S/C19H25NO5S/c1-14-4-6-16(7-5-14)26(24,25)19(10-2-3-11-19)18(23)20-12-8-15(9-13-20)17(21)22/h4-7,15H,2-3,8-13H2,1H3,(H,21,22)
InChIKeyJHZWFZMOVINBJF-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.40
Rot. Bonds4

About 1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid

1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid (PubChem CID 119349604) has the molecular formula C19H25NO5S and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid
PubChem CID119349604
Molecular FormulaC19H25NO5S
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC Name1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N3CCC(C(=O)O)CC3)CCCC2)cc1
InChIInChI=1S/C19H25NO5S/c1-14-4-6-16(7-5-14)26(24,25)19(10-2-3-11-19)18(23)20-12-8-15(9-13-20)17(21)22/h4-7,15H,2-3,8-13H2,1H3,(H,21,22)
InChIKeyJHZWFZMOVINBJF-UHFFFAOYSA-N
XLogP2.40
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 23854238
(3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
CID 4110791
1-(4-methylphenyl)sulfonylcycloheptane-1-carboxylic acid
CID 43519387
[1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 55527235
[1-(4-methylphenyl)sulfonylcyclopropyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 22429104
[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone
CID 56807459
2-[1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 55780972
[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560891
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
CID 15997169
[1-(4-methylphenyl)sulfonylcyclopentyl]-(1,4,5-oxadiazepan-4-yl)methanone
CID 155952865
[4-(1-aminoethyl)piperidin-1-yl]-[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]methanone
CID 119517880
1-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257303

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid (CID 119349604) is 1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid is Cc1ccc(S(=O)(=O)C2(C(=O)N3CCC(C(=O)O)CC3)CCCC2)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid?
The InChIKey is JHZWFZMOVINBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5S/c1-14-4-6-16(7-5-14)26(24,25)19(10-2-3-11-19)18(23)20-12-8-15(9-13-20)17(21)22/h4-7,15H,2-3,8-13H2,1H3,(H,21,22).
What are the key properties of 1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid?
1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid has a molecular weight of 379.48 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119349604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).