ethyl 4-(3-piperidin-1-ylsulfonylpropanoyl)piperazine-1-carboxylate

C15H27N3O5S — CID 110342635

IUPACethyl 4-(3-piperidin-1-ylsulfonylpropanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCS(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H27N3O5S/c1-2-23-15(20)17-11-9-16(10-12-17)14(19)6-13-24(21,22)18-7-4-3-5-8-18/h2-13H2,1H3
InChIKeyAHUVNGUAUVOYBA-UHFFFAOYSA-N
MW361.46 g/mol
LogP0.49
Rot. Bonds5

About ethyl 4-(3-piperidin-1-ylsulfonylpropanoyl)piperazine-1-carboxylate

ethyl 4-(3-piperidin-1-ylsulfonylpropanoyl)piperazine-1-carboxylate (PubChem CID 110342635) has the molecular formula C15H27N3O5S and a molecular weight of 361.46 g/mol. Its IUPAC name is ethyl 4-(3-piperidin-1-ylsulfonylpropanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-piperidin-1-ylsulfonylpropanoyl)piperazine-1-carboxylate
PubChem CID110342635
Molecular FormulaC15H27N3O5S
Molecular Weight361.46 g/mol
Exact Mass361.17
IUPAC Nameethyl 4-(3-piperidin-1-ylsulfonylpropanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCS(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H27N3O5S/c1-2-23-15(20)17-11-9-16(10-12-17)14(19)6-13-24(21,22)18-7-4-3-5-8-18/h2-13H2,1H3
InChIKeyAHUVNGUAUVOYBA-UHFFFAOYSA-N
XLogP0.49
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-piperidin-1-ylsulfonylpropanoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-piperidin-1-ylsulfonylpropanoyl)piperazine-1-carboxylate (CID 110342635) is ethyl 4-(3-piperidin-1-ylsulfonylpropanoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-piperidin-1-ylsulfonylpropanoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-piperidin-1-ylsulfonylpropanoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCS(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of ethyl 4-(3-piperidin-1-ylsulfonylpropanoyl)piperazine-1-carboxylate?
The InChIKey is AHUVNGUAUVOYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5S/c1-2-23-15(20)17-11-9-16(10-12-17)14(19)6-13-24(21,22)18-7-4-3-5-8-18/h2-13H2,1H3.
What are the key properties of ethyl 4-(3-piperidin-1-ylsulfonylpropanoyl)piperazine-1-carboxylate?
ethyl 4-(3-piperidin-1-ylsulfonylpropanoyl)piperazine-1-carboxylate has a molecular weight of 361.46 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-piperidin-1-ylsulfonylpropanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 110342635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).