ethyl 4-piperidin-1-ylsulfonylbenzoate

C14H19NO4S — CID 1077892

IUPACethyl 4-piperidin-1-ylsulfonylbenzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H19NO4S/c1-2-19-14(16)12-6-8-13(9-7-12)20(17,18)15-10-4-3-5-11-15/h6-9H,2-5,10-11H2,1H3
InChIKeyOGECTDDYESZFNV-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.04
Rot. Bonds4

About ethyl 4-piperidin-1-ylsulfonylbenzoate

ethyl 4-piperidin-1-ylsulfonylbenzoate (PubChem CID 1077892) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 4-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Nameethyl 4-piperidin-1-ylsulfonylbenzoate
PubChem CID1077892
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Nameethyl 4-piperidin-1-ylsulfonylbenzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H19NO4S/c1-2-19-14(16)12-6-8-13(9-7-12)20(17,18)15-10-4-3-5-11-15/h6-9H,2-5,10-11H2,1H3
InChIKeyOGECTDDYESZFNV-UHFFFAOYSA-N
XLogP2.04
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 154024928
2-oxopropyl 4-piperidin-1-ylsulfonylbenzoate
CID 2557067
1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 2405279
(4-methylphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 2557835
(4-methylphenyl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 2556899
methyl 4-piperidin-1-ylsulfonylbenzoate
CID 1428549
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(azepan-1-ylsulfonyl)benzoate
CID 2557964
ethyl 4-(4-pentylpiperazin-1-yl)sulfonylbenzoate
CID 78821246
ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate
CID 25342701
(3,3-dimethyl-2-oxobutyl) 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2553743
(2-methylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 7767619
2-acetamidoethyl 4-piperidin-1-ylsulfonylbenzoate
CID 9292825

Frequently Asked Questions

What is the IUPAC name of ethyl 4-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of ethyl 4-piperidin-1-ylsulfonylbenzoate (CID 1077892) is ethyl 4-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for ethyl 4-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for ethyl 4-piperidin-1-ylsulfonylbenzoate is CCOC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of ethyl 4-piperidin-1-ylsulfonylbenzoate?
The InChIKey is OGECTDDYESZFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-2-19-14(16)12-6-8-13(9-7-12)20(17,18)15-10-4-3-5-11-15/h6-9H,2-5,10-11H2,1H3.
What are the key properties of ethyl 4-piperidin-1-ylsulfonylbenzoate?
ethyl 4-piperidin-1-ylsulfonylbenzoate has a molecular weight of 297.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 1077892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).