1-(3-ethylsulfonylpropyl)-4-methoxypiperidine-4-carboxylic acid

C12H23NO5S — CID 114284634

IUPAC1-(3-ethylsulfonylpropyl)-4-methoxypiperidine-4-carboxylic acid
SMILESCCS(=O)(=O)CCCN1CCC(OC)(C(=O)O)CC1
InChIInChI=1S/C12H23NO5S/c1-3-19(16,17)10-4-7-13-8-5-12(18-2,6-9-13)11(14)15/h3-10H2,1-2H3,(H,14,15)
InChIKeyYMZDYBIRFCTGBN-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.38
Rot. Bonds7

About 1-(3-ethylsulfonylpropyl)-4-methoxypiperidine-4-carboxylic acid

1-(3-ethylsulfonylpropyl)-4-methoxypiperidine-4-carboxylic acid (PubChem CID 114284634) has the molecular formula C12H23NO5S and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-4-methoxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-4-methoxypiperidine-4-carboxylic acid
PubChem CID114284634
Molecular FormulaC12H23NO5S
Molecular Weight293.38 g/mol
Exact Mass293.13
IUPAC Name1-(3-ethylsulfonylpropyl)-4-methoxypiperidine-4-carboxylic acid
SMILESCCS(=O)(=O)CCCN1CCC(OC)(C(=O)O)CC1
InChIInChI=1S/C12H23NO5S/c1-3-19(16,17)10-4-7-13-8-5-12(18-2,6-9-13)11(14)15/h3-10H2,1-2H3,(H,14,15)
InChIKeyYMZDYBIRFCTGBN-UHFFFAOYSA-N
XLogP0.38
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethylsulfonylpropyl)-3-propylpiperidine-3-carboxylic acid
CID 65097732
1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol
CID 115873963
1-(3-ethylsulfonylpropyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161897
4-ethylsulfonyl-1-(1-methoxycycloheptyl)butan-1-one
CID 116750409
1-tert-butyl-4-methoxypiperidine-4-carboxylic acid
CID 105468787
4-ethylsulfonyl-1-(1-methoxy-4,4-dimethylcyclohexyl)butan-1-one
CID 116750183
1-(3-ethylsulfonylpropyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79372121
1-butyl-4-methylpiperidine-4-carboxylic acid
CID 63124911
1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid
CID 104648450
1-(2-ethylsulfonylethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984255
4-amino-1-pentylpiperidine-4-carboxylic acid
CID 117011769
1-heptyl-4-methylpiperidine-4-carboxylic acid
CID 55176415

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-4-methoxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-4-methoxypiperidine-4-carboxylic acid (CID 114284634) is 1-(3-ethylsulfonylpropyl)-4-methoxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-4-methoxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-4-methoxypiperidine-4-carboxylic acid is CCS(=O)(=O)CCCN1CCC(OC)(C(=O)O)CC1.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-4-methoxypiperidine-4-carboxylic acid?
The InChIKey is YMZDYBIRFCTGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5S/c1-3-19(16,17)10-4-7-13-8-5-12(18-2,6-9-13)11(14)15/h3-10H2,1-2H3,(H,14,15).
What are the key properties of 1-(3-ethylsulfonylpropyl)-4-methoxypiperidine-4-carboxylic acid?
1-(3-ethylsulfonylpropyl)-4-methoxypiperidine-4-carboxylic acid has a molecular weight of 293.38 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-4-methoxypiperidine-4-carboxylic acid is sourced from PubChem (CID 114284634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).