ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride

C13H26ClN3O4S — CID 177052799

IUPACethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(S(=O)(=O)N2CCC(N)CC2)CC1.Cl
InChIInChI=1S/C13H25N3O4S.ClH/c1-2-20-13(17)11-3-7-15(8-4-11)21(18,19)16-9-5-12(14)6-10-16;/h11-12H,2-10,14H2,1H3;1H
InChIKeyHQGJSALJGWILME-UHFFFAOYSA-N
MW355.89 g/mol
LogP0.35
Rot. Bonds4

About ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride

ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride (PubChem CID 177052799) has the molecular formula C13H26ClN3O4S and a molecular weight of 355.89 g/mol. Its IUPAC name is ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride
PubChem CID177052799
Molecular FormulaC13H26ClN3O4S
Molecular Weight355.89 g/mol
Exact Mass355.13
IUPAC Nameethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(S(=O)(=O)N2CCC(N)CC2)CC1.Cl
InChIInChI=1S/C13H25N3O4S.ClH/c1-2-20-13(17)11-3-7-15(8-4-11)21(18,19)16-9-5-12(14)6-10-16;/h11-12H,2-10,14H2,1H3;1H
InChIKeyHQGJSALJGWILME-UHFFFAOYSA-N
XLogP0.35
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 17022443
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ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
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ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate
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ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
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CID 107650934
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
CID 60731767
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-4-carboxylate
CID 43502025
azane;ethyl cyclopropanecarboxylate;hydrochloride
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ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride (CID 177052799) is ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride is CCOC(=O)C1CCN(S(=O)(=O)N2CCC(N)CC2)CC1.Cl.
What is the InChIKey of ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is HQGJSALJGWILME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S.ClH/c1-2-20-13(17)11-3-7-15(8-4-11)21(18,19)16-9-5-12(14)6-10-16;/h11-12H,2-10,14H2,1H3;1H.
What are the key properties of ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride?
ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 355.89 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 177052799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).