ethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate

C20H36N4O5S — CID 3244692

IUPACethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C20H36N4O5S/c1-3-29-20(26)22-10-8-18(9-11-22)21-19(25)17-6-14-24(15-7-17)30(27,28)23-12-4-16(2)5-13-23/h16-18H,3-15H2,1-2H3,(H,21,25)
InChIKeyAAKMJXBIIHGEFU-UHFFFAOYSA-N
MW444.60 g/mol
LogP1.41
Rot. Bonds5

About ethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 3244692) has the molecular formula C20H36N4O5S and a molecular weight of 444.60 g/mol. Its IUPAC name is ethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID3244692
Molecular FormulaC20H36N4O5S
Molecular Weight444.60 g/mol
Exact Mass444.24
IUPAC Nameethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C20H36N4O5S/c1-3-29-20(26)22-10-8-18(9-11-22)21-19(25)17-6-14-24(15-7-17)30(27,28)23-12-4-16(2)5-13-23/h16-18H,3-15H2,1-2H3,(H,21,25)
InChIKeyAAKMJXBIIHGEFU-UHFFFAOYSA-N
XLogP1.41
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate (CID 3244692) is ethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)CC1.
What is the InChIKey of ethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is AAKMJXBIIHGEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O5S/c1-3-29-20(26)22-10-8-18(9-11-22)21-19(25)17-6-14-24(15-7-17)30(27,28)23-12-4-16(2)5-13-23/h16-18H,3-15H2,1-2H3,(H,21,25).
What are the key properties of ethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 444.60 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 3244692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).