(3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid

C14H27N3O5S — CID 97131494

IUPAC(3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCOCC[C@]1(C(=O)O)CCCN(S(=O)(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C14H27N3O5S/c1-15-7-9-16(10-8-15)23(20,21)17-6-3-4-14(12-17,13(18)19)5-11-22-2/h3-12H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyKCRQRYFAJZIZLQ-CQSZACIVSA-N
MW349.45 g/mol
LogP-0.32
Rot. Bonds6

About (3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid

(3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 97131494) has the molecular formula C14H27N3O5S and a molecular weight of 349.45 g/mol. Its IUPAC name is (3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid
PubChem CID97131494
Molecular FormulaC14H27N3O5S
Molecular Weight349.45 g/mol
Exact Mass349.17
IUPAC Name(3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCOCC[C@]1(C(=O)O)CCCN(S(=O)(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C14H27N3O5S/c1-15-7-9-16(10-8-15)23(20,21)17-6-3-4-14(12-17,13(18)19)5-11-22-2/h3-12H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyKCRQRYFAJZIZLQ-CQSZACIVSA-N
XLogP-0.32
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-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

3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid
CID 72922447
3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 86283115
(3R)-1-butylsulfonyl-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97112561
3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 114814574
3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid
CID 63136190
[(3R)-1-(azepan-1-ylsulfonyl)-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97142125
3-(3-methoxypropyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]piperidine-3-carboxylic acid
CID 72849133
1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 66023970
1-(2-methylsulfonylethylsulfonyl)-3-propylpiperidine-3-carboxylic acid
CID 63245394
(3R)-3-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylic acid
CID 97115195
3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 72881029
1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 72855120

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid (CID 97131494) is (3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid is COCC[C@]1(C(=O)O)CCCN(S(=O)(=O)N2CCN(C)CC2)C1.
What is the InChIKey of (3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is KCRQRYFAJZIZLQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H27N3O5S/c1-15-7-9-16(10-8-15)23(20,21)17-6-3-4-14(12-17,13(18)19)5-11-22-2/h3-12H2,1-2H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid?
(3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 349.45 g/mol, XLogP of -0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 97131494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).