4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid

C14H25NO4 — CID 114427347

IUPAC4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
SMILESCCCOCCC(=O)N1CCC(CC)CC1C(=O)O
InChIInChI=1S/C14H25NO4/c1-3-8-19-9-6-13(16)15-7-5-11(4-2)10-12(15)14(17)18/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyABCIPWSYGTWPDL-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.90
Rot. Bonds7

About 4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid

4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid (PubChem CID 114427347) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
PubChem CID114427347
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
SMILESCCCOCCC(=O)N1CCC(CC)CC1C(=O)O
InChIInChI=1S/C14H25NO4/c1-3-8-19-9-6-13(16)15-7-5-11(4-2)10-12(15)14(17)18/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyABCIPWSYGTWPDL-UHFFFAOYSA-N
XLogP1.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid
CID 114426976
4-ethyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid
CID 114427038
(2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
CID 66263294
4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid
CID 114429674
4-ethyl-1-(2-methylsulfonylacetyl)piperidine-2-carboxylic acid
CID 114427207
4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid
CID 114429627
1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114429706
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427375
4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid
CID 114427226
1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356993
1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430350

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid (CID 114427347) is 4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid is CCCOCCC(=O)N1CCC(CC)CC1C(=O)O.
What is the InChIKey of 4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid?
The InChIKey is ABCIPWSYGTWPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-8-19-9-6-13(16)15-7-5-11(4-2)10-12(15)14(17)18/h11-12H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid?
4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114427347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).