3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid

C14H25NO4 — CID 81046195

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

About 3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid

3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid (PubChem CID 81046195) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid
PubChem CID81046195
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid
SMILESCOCCCC(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C14H25NO4/c1-11(9-14(17)18)12-5-3-7-15(10-12)13(16)6-4-8-19-2/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyMOTMTCHKAOQNDP-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-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81049194
3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid
CID 81047214
1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
CID 119593481
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-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one
CID 58395437
3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046430
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid
CID 81046673
3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid
CID 81046858
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid (CID 81046195) is 3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid is COCCCC(=O)N1CCCC(C(C)CC(=O)O)C1.
What is the InChIKey of 3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid?
The InChIKey is MOTMTCHKAOQNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-11(9-14(17)18)12-5-3-7-15(10-12)13(16)6-4-8-19-2/h11-12H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid?
3-[1-(4-methoxybutanoyl)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-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81046195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).