ethyl 4-(piperazin-1-ylsulfonylamino)piperidine-1-carboxylate

C12H24N4O4S — CID 29266489

IUPACethyl 4-(piperazin-1-ylsulfonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H24N4O4S/c1-2-20-12(17)15-7-3-11(4-8-15)14-21(18,19)16-9-5-13-6-10-16/h11,13-14H,2-10H2,1H3
InChIKeyLFGZJIRYWBJRCO-UHFFFAOYSA-N
MW320.42 g/mol
LogP-0.65
Rot. Bonds4

About ethyl 4-(piperazin-1-ylsulfonylamino)piperidine-1-carboxylate

ethyl 4-(piperazin-1-ylsulfonylamino)piperidine-1-carboxylate (PubChem CID 29266489) has the molecular formula C12H24N4O4S and a molecular weight of 320.42 g/mol. Its IUPAC name is ethyl 4-(piperazin-1-ylsulfonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(piperazin-1-ylsulfonylamino)piperidine-1-carboxylate
PubChem CID29266489
Molecular FormulaC12H24N4O4S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC Nameethyl 4-(piperazin-1-ylsulfonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H24N4O4S/c1-2-20-12(17)15-7-3-11(4-8-15)14-21(18,19)16-9-5-13-6-10-16/h11,13-14H,2-10H2,1H3
InChIKeyLFGZJIRYWBJRCO-UHFFFAOYSA-N
XLogP-0.65
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(piperazin-1-ylsulfonylamino)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-(piperazin-1-ylsulfonylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(piperazin-1-ylsulfonylamino)piperidine-1-carboxylate (CID 29266489) is ethyl 4-(piperazin-1-ylsulfonylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(piperazin-1-ylsulfonylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(piperazin-1-ylsulfonylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)N2CCNCC2)CC1.
What is the InChIKey of ethyl 4-(piperazin-1-ylsulfonylamino)piperidine-1-carboxylate?
The InChIKey is LFGZJIRYWBJRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O4S/c1-2-20-12(17)15-7-3-11(4-8-15)14-21(18,19)16-9-5-13-6-10-16/h11,13-14H,2-10H2,1H3.
What are the key properties of ethyl 4-(piperazin-1-ylsulfonylamino)piperidine-1-carboxylate?
ethyl 4-(piperazin-1-ylsulfonylamino)piperidine-1-carboxylate has a molecular weight of 320.42 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(piperazin-1-ylsulfonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 29266489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).