ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate

C16H28N2O5S — CID 3243463

IUPACethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)C1
InChIInChI=1S/C16H28N2O5S/c1-3-23-16(20)14-6-5-9-17(12-14)15(19)13-7-10-18(11-8-13)24(21,22)4-2/h13-14H,3-12H2,1-2H3
InChIKeyXEEHBEDEOSJAPC-UHFFFAOYSA-N
MW360.48 g/mol
LogP0.85
Rot. Bonds5

About ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate

ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate (PubChem CID 3243463) has the molecular formula C16H28N2O5S and a molecular weight of 360.48 g/mol. Its IUPAC name is ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate
PubChem CID3243463
Molecular FormulaC16H28N2O5S
Molecular Weight360.48 g/mol
Exact Mass360.17
IUPAC Nameethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)C1
InChIInChI=1S/C16H28N2O5S/c1-3-23-16(20)14-6-5-9-17(12-14)15(19)13-7-10-18(11-8-13)24(21,22)4-2/h13-14H,3-12H2,1-2H3
InChIKeyXEEHBEDEOSJAPC-UHFFFAOYSA-N
XLogP0.85
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-{[1-(methylsulfonyl)piperidin-3-yl]carbonyl}piperidine-3-carboxylate
CID 3243322
Ethyl 1-{[1-(ethylsulfonyl)piperidin-4-yl]carbonyl}piperidine-4-carboxylate
CID 3238413
Ethyl 1-(1-(cyclopropylsulfonyl)azetidine-3-carbonyl)piperidine-3-carboxylate
CID 71785553
Ethyl 1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonyl]piperidine-3-carboxylate
CID 4124128
Ethyl 1-(1-pyrrolidin-1-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate
CID 4438054
Ethyl 1-{[1-(methylsulfonyl)piperidin-4-yl]carbonyl}piperidine-3-carboxylate
CID 19582930
ethyl 1-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 27276929
ethyl 1-[(3S)-1-methylsulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 27276930
1-(1-Methylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43171029
Ethyl 1-(3-methylsulfonylpropanoyl)piperidine-3-carboxylate
CID 43431326
Ethyl 1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate
CID 45371999
ethyl (3S)-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate
CID 51391873

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate (CID 3243463) is ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)C1.
What is the InChIKey of ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is XEEHBEDEOSJAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5S/c1-3-23-16(20)14-6-5-9-17(12-14)15(19)13-7-10-18(11-8-13)24(21,22)4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate?
ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 360.48 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 3243463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).