ethyl 4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazine-1-carboxylate

C15H27N3O5S — CID 3244194

IUPACethyl 4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC1
InChIInChI=1S/C15H27N3O5S/c1-3-23-15(20)17-11-9-16(10-12-17)14(19)13-5-7-18(8-6-13)24(21,22)4-2/h13H,3-12H2,1-2H3
InChIKeyCVPXFQSKOYJEPK-UHFFFAOYSA-N
MW361.46 g/mol
LogP0.35
Rot. Bonds4

About ethyl 4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazine-1-carboxylate

ethyl 4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazine-1-carboxylate (PubChem CID 3244194) has the molecular formula C15H27N3O5S and a molecular weight of 361.46 g/mol. Its IUPAC name is ethyl 4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazine-1-carboxylate
PubChem CID3244194
Molecular FormulaC15H27N3O5S
Molecular Weight361.46 g/mol
Exact Mass361.17
IUPAC Nameethyl 4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC1
InChIInChI=1S/C15H27N3O5S/c1-3-23-15(20)17-11-9-16(10-12-17)14(19)13-5-7-18(8-6-13)24(21,22)4-2/h13H,3-12H2,1-2H3
InChIKeyCVPXFQSKOYJEPK-UHFFFAOYSA-N
XLogP0.35
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazine-1-carboxylate (CID 3244194) is ethyl 4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC1.
What is the InChIKey of ethyl 4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is CVPXFQSKOYJEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5S/c1-3-23-15(20)17-11-9-16(10-12-17)14(19)13-5-7-18(8-6-13)24(21,22)4-2/h13H,3-12H2,1-2H3.
What are the key properties of ethyl 4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazine-1-carboxylate?
ethyl 4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 361.46 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 3244194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).