ethyl 4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate

C19H26ClN3O5S — CID 2920802

IUPACethyl 4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C19H26ClN3O5S/c1-2-28-19(25)22-13-11-21(12-14-22)18(24)15-7-9-23(10-8-15)29(26,27)17-5-3-16(20)4-6-17/h3-6,15H,2,7-14H2,1H3
InChIKeyZWAZNHIXOQTPLA-UHFFFAOYSA-N
MW443.95 g/mol
LogP2.04
Rot. Bonds4

About ethyl 4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate

ethyl 4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate (PubChem CID 2920802) has the molecular formula C19H26ClN3O5S and a molecular weight of 443.95 g/mol. Its IUPAC name is ethyl 4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
PubChem CID2920802
Molecular FormulaC19H26ClN3O5S
Molecular Weight443.95 g/mol
Exact Mass443.13
IUPAC Nameethyl 4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C19H26ClN3O5S/c1-2-28-19(25)22-13-11-21(12-14-22)18(24)15-7-9-23(10-8-15)29(26,27)17-5-3-16(20)4-6-17/h3-6,15H,2,7-14H2,1H3
InChIKeyZWAZNHIXOQTPLA-UHFFFAOYSA-N
XLogP2.04
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.95
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate (CID 2920802) is ethyl 4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of ethyl 4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is ZWAZNHIXOQTPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O5S/c1-2-28-19(25)22-13-11-21(12-14-22)18(24)15-7-9-23(10-8-15)29(26,27)17-5-3-16(20)4-6-17/h3-6,15H,2,7-14H2,1H3.
What are the key properties of ethyl 4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate?
ethyl 4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 443.95 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 2920802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).