4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid

C17H25NO5S — CID 67183247

IUPAC4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid
SMILESC[C@H](CCC1CCN(C(=O)O)CC1)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H25NO5S/c1-13(3-4-14-9-11-18(12-10-14)17(19)20)23-15-5-7-16(8-6-15)24(2,21)22/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyXLIDBAOGSFRTDH-CYBMUJFWSA-N
MW355.46 g/mol
LogP3.03
Rot. Bonds6

About 4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid

4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid (PubChem CID 67183247) has the molecular formula C17H25NO5S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid
PubChem CID67183247
Molecular FormulaC17H25NO5S
Molecular Weight355.46 g/mol
Exact Mass355.15
IUPAC Name4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid
SMILESC[C@H](CCC1CCN(C(=O)O)CC1)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H25NO5S/c1-13(3-4-14-9-11-18(12-10-14)17(19)20)23-15-5-7-16(8-6-15)24(2,21)22/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyXLIDBAOGSFRTDH-CYBMUJFWSA-N
XLogP3.03
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylate
CID 67184502
4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid
CID 91186698
(4-methylsulfonylphenyl) (3R)-3-aminopyrrolidine-1-carboxylate
CID 142325530
4-(4-methylsulfonylphenoxy)pentanehydrazide
CID 63569111
4-[[[5-(4-methylsulfonylphenyl)-2-pyridinyl]amino]methyl]piperidine-1-carboxylic acid
CID 68862512
2-methyl-2-(methylamino)-4-(4-methylsulfonylphenoxy)pentanoic acid
CID 64719577
(3R)-3-[2-(4-methylsulfonylphenoxy)ethyl]piperazine-1-carboxylic acid
CID 68985680
[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 25100924
[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 47017711
4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide
CID 71166636
1-[4-(3-methylbutyl)piperidin-1-yl]-4-methylsulfonyl-2-phenylbutan-1-one
CID 155949246
[3-(bromomethyl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 80667807

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid (CID 67183247) is 4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid is C[C@H](CCC1CCN(C(=O)O)CC1)Oc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid?
The InChIKey is XLIDBAOGSFRTDH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25NO5S/c1-13(3-4-14-9-11-18(12-10-14)17(19)20)23-15-5-7-16(8-6-15)24(2,21)22/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid?
4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid has a molecular weight of 355.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67183247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).