methyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate

C13H24N2O5S — CID 114680638

IUPACmethyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)N2CCC(O)C(C)C2)CC1
InChIInChI=1S/C13H24N2O5S/c1-10-9-15(8-5-12(10)16)21(18,19)14-6-3-11(4-7-14)13(17)20-2/h10-12,16H,3-9H2,1-2H3
InChIKeyVOISOCDUVAYETH-UHFFFAOYSA-N
MW320.41 g/mol
LogP-0.18
Rot. Bonds3

About methyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate

methyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate (PubChem CID 114680638) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is methyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate
PubChem CID114680638
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Namemethyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)N2CCC(O)C(C)C2)CC1
InChIInChI=1S/C13H24N2O5S/c1-10-9-15(8-5-12(10)16)21(18,19)14-6-3-11(4-7-14)13(17)20-2/h10-12,16H,3-9H2,1-2H3
InChIKeyVOISOCDUVAYETH-UHFFFAOYSA-N
XLogP-0.18
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Morpholin-4-ylsulfonyl)piperidine-4-carboxylic acid
CID 3239773
1-[(4-Methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxylic acid
CID 5071683
Ethyl 1-piperidin-1-ylsulfonylpiperidine-4-carboxylate
CID 4126641
Tert-butyl 1-(4-hydroxypiperidin-1-yl)piperidine-4-carboxylate
CID 69855556
1-[(1-Methylpiperidin-4-yl)oxymethyl]piperidine-4-carboxylic acid
CID 129059179
1-(4-Carboxypiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 141399332
1-(Piperidine-1-sulfonyl)piperidine-4-carboxylic acid
CID 3556711
4-[(4-Methoxycarbonylpiperidin-1-yl)sulfonyl-methylamino]butanoic acid
CID 43173183
1-[(3-Methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxylic acid
CID 43210800
1-[(3,5-Dimethylpiperidin-1-yl)sulfonyl]piperidine-4-carboxylic acid
CID 43361284
1-(2,6-Dimethylmorpholin-4-yl)sulfonylpiperidine-4-carboxylic acid
CID 43361286
Methyl 1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidine-4-carboxylate
CID 43409812

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate (CID 114680638) is methyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)N2CCC(O)C(C)C2)CC1.
What is the InChIKey of methyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate?
The InChIKey is VOISOCDUVAYETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-10-9-15(8-5-12(10)16)21(18,19)14-6-3-11(4-7-14)13(17)20-2/h10-12,16H,3-9H2,1-2H3.
What are the key properties of methyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate?
methyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate has a molecular weight of 320.41 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 114680638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).