1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid

C15H26N2O4 — CID 102656172

IUPAC1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)COC2(C)CNC2)C1
InChIInChI=1S/C15H26N2O4/c1-3-5-15(13(19)20)6-4-7-17(11-15)12(18)8-21-14(2)9-16-10-14/h16H,3-11H2,1-2H3,(H,19,20)
InChIKeyFFDIGXKALOJQLX-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.86
Rot. Bonds6

About 1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid

1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid (PubChem CID 102656172) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid
PubChem CID102656172
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)COC2(C)CNC2)C1
InChIInChI=1S/C15H26N2O4/c1-3-5-15(13(19)20)6-4-7-17(11-15)12(18)8-21-14(2)9-16-10-14/h16H,3-11H2,1-2H3,(H,19,20)
InChIKeyFFDIGXKALOJQLX-UHFFFAOYSA-N
XLogP0.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid
CID 102656171
4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid
CID 102656168
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-(3-methylpiperidine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63137762
(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid
CID 97144655
1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63136426
1-(3-amino-3-methylbutanoyl)-3-propylpiperidine-3-carboxylic acid
CID 64676856
1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63135923
1-(piperidine-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138207
1-[2-methoxyethyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63136210
1-[(2-amino-2-oxoethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 55165305

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid (CID 102656172) is 1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)COC2(C)CNC2)C1.
What is the InChIKey of 1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid?
The InChIKey is FFDIGXKALOJQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-5-15(13(19)20)6-4-7-17(11-15)12(18)8-21-14(2)9-16-10-14/h16H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid?
1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 102656172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).