methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate

C12H23N3O4S — CID 102984420

IUPACmethyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)N2CCC[C@@H](N)C2)CC1
InChIInChI=1S/C12H23N3O4S/c1-19-12(16)10-4-7-14(8-5-10)20(17,18)15-6-2-3-11(13)9-15/h10-11H,2-9,13H2,1H3/t11-/m1/s1
InChIKeyBZLRSKHVWVIPNQ-LLVKDONJSA-N
MW305.40 g/mol
LogP-0.46
Rot. Bonds3

About methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate

methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate (PubChem CID 102984420) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate
PubChem CID102984420
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Namemethyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)N2CCC[C@@H](N)C2)CC1
InChIInChI=1S/C12H23N3O4S/c1-19-12(16)10-4-7-14(8-5-10)20(17,18)15-6-2-3-11(13)9-15/h10-11H,2-9,13H2,1H3/t11-/m1/s1
InChIKeyBZLRSKHVWVIPNQ-LLVKDONJSA-N
XLogP-0.46
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate
CID 114680638
1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 61403844
methyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate
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(3S)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
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methyl 2-(3-aminopyrrolidin-1-yl)sulfonylcyclohexane-1-carboxylate
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ethyl 1-(3-aminopiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate
CID 43605490
(3R)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962874
ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride
CID 177052799
ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate
CID 81318780
methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate
CID 115602676

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate (CID 102984420) is methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)N2CCC[C@@H](N)C2)CC1.
What is the InChIKey of methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate?
The InChIKey is BZLRSKHVWVIPNQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-19-12(16)10-4-7-14(8-5-10)20(17,18)15-6-2-3-11(13)9-15/h10-11H,2-9,13H2,1H3/t11-/m1/s1.
What are the key properties of methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate?
methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate has a molecular weight of 305.40 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 102984420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).