ethyl 4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate

C14H25N3O5S — CID 6938504

IUPACethyl 4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C14H25N3O5S/c1-3-22-14(19)16-9-7-15(8-10-16)13(18)12-5-4-6-17(11-12)23(2,20)21/h12H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyTWYSEPIVMPMWHC-GFCCVEGCSA-N
MW347.44 g/mol
LogP-0.04
Rot. Bonds3

About ethyl 4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 6938504) has the molecular formula C14H25N3O5S and a molecular weight of 347.44 g/mol. Its IUPAC name is ethyl 4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate
PubChem CID6938504
Molecular FormulaC14H25N3O5S
Molecular Weight347.44 g/mol
Exact Mass347.15
IUPAC Nameethyl 4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C14H25N3O5S/c1-3-22-14(19)16-9-7-15(8-10-16)13(18)12-5-4-6-17(11-12)23(2,20)21/h12H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyTWYSEPIVMPMWHC-GFCCVEGCSA-N
XLogP-0.04
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]piperazine-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-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate (CID 6938504) is ethyl 4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)CC1.
What is the InChIKey of ethyl 4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is TWYSEPIVMPMWHC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N3O5S/c1-3-22-14(19)16-9-7-15(8-10-16)13(18)12-5-4-6-17(11-12)23(2,20)21/h12H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of ethyl 4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 347.44 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 6938504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).