ethyl 4-[(1-quinolin-8-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate

C23H30N4O5S — CID 5308545

IUPACethyl 4-[(1-quinolin-8-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1
InChIInChI=1S/C23H30N4O5S/c1-2-32-23(29)26-13-10-19(11-14-26)25-22(28)18-8-15-27(16-9-18)33(30,31)20-7-3-5-17-6-4-12-24-21(17)20/h3-7,12,18-19H,2,8-11,13-16H2,1H3,(H,25,28)
InChIKeyBMDGVLKGPWJZQN-UHFFFAOYSA-N
MW474.58 g/mol
LogP2.37
Rot. Bonds5

About ethyl 4-[(1-quinolin-8-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(1-quinolin-8-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 5308545) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is ethyl 4-[(1-quinolin-8-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-quinolin-8-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate
PubChem CID5308545
Molecular FormulaC23H30N4O5S
Molecular Weight474.58 g/mol
Exact Mass474.19
IUPAC Nameethyl 4-[(1-quinolin-8-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1
InChIInChI=1S/C23H30N4O5S/c1-2-32-23(29)26-13-10-19(11-14-26)25-22(28)18-8-15-27(16-9-18)33(30,31)20-7-3-5-17-6-4-12-24-21(17)20/h3-7,12,18-19H,2,8-11,13-16H2,1H3,(H,25,28)
InChIKeyBMDGVLKGPWJZQN-UHFFFAOYSA-N
XLogP2.37
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-quinolin-8-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1-quinolin-8-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate (CID 5308545) is ethyl 4-[(1-quinolin-8-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-quinolin-8-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-quinolin-8-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1.
What is the InChIKey of ethyl 4-[(1-quinolin-8-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is BMDGVLKGPWJZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-2-32-23(29)26-13-10-19(11-14-26)25-22(28)18-8-15-27(16-9-18)33(30,31)20-7-3-5-17-6-4-12-24-21(17)20/h3-7,12,18-19H,2,8-11,13-16H2,1H3,(H,25,28).
What are the key properties of ethyl 4-[(1-quinolin-8-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(1-quinolin-8-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 474.58 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-quinolin-8-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 5308545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).