ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate

C24H30N2O5S — CID 2989238

IUPACethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1
InChIInChI=1S/C24H30N2O5S/c1-2-31-24(28)20-9-13-25(14-10-20)23(27)19-11-15-26(16-12-19)32(29,30)22-8-7-18-5-3-4-6-21(18)17-22/h3-8,17,19-20H,2,9-16H2,1H3
InChIKeyJQFSUFXKUPUGBX-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.04
Rot. Bonds5

About ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate

ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 2989238) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate
PubChem CID2989238
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC Nameethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1
InChIInChI=1S/C24H30N2O5S/c1-2-31-24(28)20-9-13-25(14-10-20)23(27)19-11-15-26(16-12-19)32(29,30)22-8-7-18-5-3-4-6-21(18)17-22/h3-8,17,19-20H,2,9-16H2,1H3
InChIKeyJQFSUFXKUPUGBX-UHFFFAOYSA-N
XLogP3.04
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Naphthalene-2-sulfonyl)piperidine-4-carboxylic acid
CID 811844
Ethyl 1-naphthalen-2-ylsulfonylpiperidine-3-carboxylate
CID 3785564
[2-Oxo-2-(2-phenylethylamino)ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 24686724
Ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate
CID 24819944
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 24979514
Ethyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 735899
1-[N-methyl-N-(naphthalen-2-ylsulfonyl)glycyl]piperidine-4-carboxamide
CID 1093333
Ethyl 1-[(3,4-dimethylphenyl)sulfonyl]piperidine-4-carboxylate
CID 1090993
2-Methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 2442477
3-Methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one
CID 1151515
ethyl (3R)-1-[6-(diethylsulfamoyl)naphthalen-2-yl]sulfonylpiperidine-3-carboxylate
CID 162365393
4-[4-(Naphthalene-2-sulfonyl)piperazin-1-yl]-4-oxobutanoic acid
CID 2437623

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate (CID 2989238) is ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1.
What is the InChIKey of ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is JQFSUFXKUPUGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-2-31-24(28)20-9-13-25(14-10-20)23(27)19-11-15-26(16-12-19)32(29,30)22-8-7-18-5-3-4-6-21(18)17-22/h3-8,17,19-20H,2,9-16H2,1H3.
What are the key properties of ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 458.58 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 2989238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).