3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid

C14H25NO4 — CID 81047214

IUPAC3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid
SMILESCCOCCC(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C14H25NO4/c1-3-19-8-6-13(16)15-7-4-5-12(10-15)11(2)9-14(17)18/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyGEFPANANARRPBQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.76
Rot. Bonds7

About 3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid

3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid (PubChem CID 81047214) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid
PubChem CID81047214
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid
SMILESCCOCCC(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C14H25NO4/c1-3-19-8-6-13(16)15-7-4-5-12(10-15)11(2)9-14(17)18/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyGEFPANANARRPBQ-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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

3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid
CID 81046195
3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81048987
3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid
CID 81046204
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid
CID 81046858
3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63240826
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
CID 103870704
3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046430
3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one
CID 58395437

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid (CID 81047214) is 3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid is CCOCCC(=O)N1CCCC(C(C)CC(=O)O)C1.
What is the InChIKey of 3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid?
The InChIKey is GEFPANANARRPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-19-8-6-13(16)15-7-4-5-12(10-15)11(2)9-14(17)18/h11-12H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid?
3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81047214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).