4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid

C11H21N3O4S — CID 71147624

IUPAC4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid
SMILESCS(=O)(=O)N1CCN(C2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C11H21N3O4S/c1-19(17,18)14-8-6-12(7-9-14)10-2-4-13(5-3-10)11(15)16/h10H,2-9H2,1H3,(H,15,16)
InChIKeyUXXDJQHEOSZRNQ-UHFFFAOYSA-N
MW291.37 g/mol
LogP-0.29
Rot. Bonds2

About 4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid

4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid (PubChem CID 71147624) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid
PubChem CID71147624
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Name4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid
SMILESCS(=O)(=O)N1CCN(C2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C11H21N3O4S/c1-19(17,18)14-8-6-12(7-9-14)10-2-4-13(5-3-10)11(15)16/h10H,2-9H2,1H3,(H,15,16)
InChIKeyUXXDJQHEOSZRNQ-UHFFFAOYSA-N
XLogP-0.29
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylsulfonylpiperazin-1-yl)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

1-(1-acetylpiperidin-4-yl)-4-methylsulfonyl-1,4-diazepane-6-carboxylic acid
CID 74236175
4-(3-methylsulfonyloxyazetidin-1-yl)piperidine-1-carboxylic acid
CID 141313976
1-(azetidin-3-yl)-4-methylsulfonylpiperazine;bis(2,2,2-trifluoroacetic acid)
CID 21197669
(4aR,6S,7aS)-6-methylsulfonyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine-2-carboxylic acid
CID 141384265
4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid
CID 91007928
(3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168195
1-methylsulfonyl-4-(oxan-4-yl)-1,4-diazepane-6-carboxylic acid
CID 66510031
1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1,4-diazepane-6-carboxamide
CID 110107391
4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid
CID 126519345
1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine
CID 58209113
1-(1-methylsulfonylpiperidin-4-yl)azetidine-2-carboxylic acid
CID 86692779
4-[4-[(E)-C-chloro-N-methoxycarbonimidoyl]piperidin-1-yl]azepane-1-carboxylic acid
CID 174905221

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid (CID 71147624) is 4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid is CS(=O)(=O)N1CCN(C2CCN(C(=O)O)CC2)CC1.
What is the InChIKey of 4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is UXXDJQHEOSZRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-19(17,18)14-8-6-12(7-9-14)10-2-4-13(5-3-10)11(15)16/h10H,2-9H2,1H3,(H,15,16).
What are the key properties of 4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid?
4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 71147624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).