ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate

C15H22N2O4S — CID 23959675

IUPACethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)CCc2ccccn2)CC1
InChIInChI=1S/C15H22N2O4S/c1-2-21-15(18)13-6-10-17(11-7-13)22(19,20)12-8-14-5-3-4-9-16-14/h3-5,9,13H,2,6-8,10-12H2,1H3
InChIKeyQOXDUBCTPYNVMQ-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.23
Rot. Bonds6

About ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate

ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate (PubChem CID 23959675) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate
PubChem CID23959675
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Nameethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)CCc2ccccn2)CC1
InChIInChI=1S/C15H22N2O4S/c1-2-21-15(18)13-6-10-17(11-7-13)22(19,20)12-8-14-5-3-4-9-16-14/h3-5,9,13H,2,6-8,10-12H2,1H3
InChIKeyQOXDUBCTPYNVMQ-UHFFFAOYSA-N
XLogP1.23
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol
CID 54878771
methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate
CID 78920725
N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60865084
(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
CID 79030740
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]piperidine-4-carboxylate
CID 111155622
ethyl 1-(2-pyridin-2-ylpyrrolidin-1-yl)sulfonylpiperidine-4-carboxylate
CID 56899189
ethyl 1-(2-chloroethylsulfonyl)piperidine-4-carboxylate
CID 107650934
[4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine
CID 114960930
2-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylic acid
CID 106742336
methyl 1-(2-pyridin-2-ylethylsulfonyl)pyrrolidine-2-carboxylate
CID 60865617

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate (CID 23959675) is ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)CCc2ccccn2)CC1.
What is the InChIKey of ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate?
The InChIKey is QOXDUBCTPYNVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-21-15(18)13-6-10-17(11-7-13)22(19,20)12-8-14-5-3-4-9-16-14/h3-5,9,13H,2,6-8,10-12H2,1H3.
What are the key properties of ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate?
ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate has a molecular weight of 326.42 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate is sourced from PubChem (CID 23959675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).